make[1]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; make -k test.sander.BASIC make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd cytosine && ./Run.cytosine diffing cytosine.out.save with cytosine.out PASSED ============================================================== cd nonper && ./Run.nonper diffing mdout.nonper.save with mdout.nonper PASSED ============================================================== cd nonper && ./Run.nonper.belly diffing mdout.belly.save with mdout.belly PASSED ============================================================== cd nonper && ./Run.nonper.belly.mask diffing mdout.belly.mask.save with mdout.belly.mask PASSED ============================================================== cd nonper && ./Run.nonper.min diffing mdout.min.save with mdout.min PASSED ============================================================== cd nonper && ./Run.cap diffing mdout.cap.save with mdout.cap PASSED ============================================================== cd nonper && ./Run.nonper.nocut diffing mdout.nocut.save with mdout.nocut PASSED ============================================================== cd tip4p && ./Run.tip4p diffing mdout.tip4p.save with mdout.tip4p PASSED ============================================================== cd tip4p && ./Run.tip4p_nve diffing mdout.tip4p_nve.save with mdout.tip4p_nve PASSED ============================================================== cd tip5p && ./Run.tip5p diffing mdout.tip5p.save with mdout.tip5p PASSED ============================================================== cd tip5p && ./Run.tip5p_nve diffing mdout.tip5p_nve.save with mdout.tip5p_nve PASSED ============================================================== cd 4096wat && ./Run.pure_wat diffing mdout.pure_wat.save with mdout.pure_wat PASSED ============================================================== cd 4096wat && ./Run.pure_wat_nmr_temp_reg diffing mdout.pure_wat_nmr_temp.save with mdout.pure_wat_nmr_temp PASSED ============================================================== cd 4096wat && ./Run.vrand diffing mdout.vrand.save with mdout.vrand PASSED ============================================================== cd 4096wat_oct && ./Run.pure_wat_oct diffing mdout.pure_wat_oct.save with mdout.pure_wat_oct PASSED ============================================================== diffing mdcrd.pure_wat_oct.save with mdcrd.pure_wat_oct PASSED ============================================================== cd dhfr && ./Run.dhfr diffing mdout.dhfr.save with mdout.dhfr PASSED ============================================================== cd dhfr && ./Run.dhfr.noboxinfo diffing mdout.dhfr.noboxinfo.save with mdout.dhfr.noboxinfo PASSED ============================================================== cd dhfr && ./Run.dhfr.noshake diffing mdout.dhfr.noshake.save with mdout.dhfr.noshake PASSED ============================================================== cd dhfr && ./Run.dhfr.min diffing mdout.dhfr.min.save with mdout.dhfr.min PASSED ============================================================== cd dhfr && ./Run.dhfr.lmodxmin diffing mdout.dhfr.lmodxmin.save with mdout.dhfr.lmodxmin PASSED ============================================================== cd variable_14 && ./Run.variable_14_ntb1 diffing variable_14_ntb1.mdout.save with variable_14_ntb1.mdout PASSED ============================================================== cd gact_ips && ./Run.ips diffing mdout.ips.save with mdout.ips PASSED ============================================================== cd gact_ips && ./Run.ipsnve diffing mdout.ipsnve.save with mdout.ipsnve PASSED ============================================================== cd gact_ips && ./Run.ips_sgld diffing mdout.ips_sgld.save with mdout.ips_sgld PASSED ============================================================== cd gact_ips && ./Run.ips_dfft diffing mdout.ips_dfft.save with mdout.ips_dfft PASSED ============================================================== cd gact_ips && ./Run.ips_vacuum diffing mdout.ips_vacuum.save with mdout.ips_vacuum PASSED ============================================================== cd polarizable_water && ./Run.pol_wat diffing mdout.polwat.save with mdout.polwat PASSED ============================================================== cd ubiquitin && ./Run.ubiquitin diffing mdout.ubiquitin.save with mdout.ubiquitin PASSED ============================================================== diffing mden.save with mden PASSED ============================================================== diffing mdcrd.save with mdcrd PASSED ============================================================== diffing mdvel.save with mdvel PASSED ============================================================== cd dna_pol && ./Run.dna_pol diffing mdout.dna_pol.save with mdout.dna_pol PASSED ============================================================== cd trx && ./Run.trx diffing mdout.trx.save with mdout.trx PASSED ============================================================== cd trx && ./Run.trx.cpln diffing mdout.trx.cpln.save with mdout.trx.cpln PASSED ============================================================== cd rdc && ./Run.dip diffing gcg.dip.o.save with gcg.dip.o PASSED ============================================================== cd rdc && ./Run.csa diffing gcg.csa.o.save with gcg.csa.o PASSED ============================================================== cd rdc && ./Run.csa_min diffing gcg.csa_min.o.save with gcg.csa_min.o PASSED ============================================================== cd pcsa && ./Run.dip diffing stem.dip.o.save with stem.dip.o PASSED ============================================================== cd pcsa && ./Run.csa diffing stem.csa.o.save with stem.csa.o PASSED ============================================================== cd pcsa && ./Run.csa2 diffing stem.csa2.o.save with stem.csa2.o PASSED ============================================================== cd pcsa && ./Run.csa_min diffing stem.csa_min.o.save with stem.csa_min.o PASSED ============================================================== cd tgtmd/change_target && ./Run.tgtmd SANDER: Targeted MD with changing target diffing tgtmd.out.save with tgtmd.out PASSED ============================================================== cd tgtmd/change_target.rms && ./Run.tgtmd SANDER: Targeted MD with changing target and fit/rmsd to different regions diffing tgtmd.out.save with tgtmd.out PASSED ============================================================== cd tgtmd/change_target.ntr && ./Run.tgtmd SANDER: Targeted MD with changing target and restraints DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ cd tgtmd/conserve_ene && ./Run.tgtmd SANDER: Targeted MD energy conservation test diffing tgtmd.out.save with tgtmd.out PASSED ============================================================== cd tgtmd/minimize && ./Run.tgtmin SANDER: Targeted minimization diffing tgtmin.out.save with tgtmin.out PASSED ============================================================== cd tgtmd/PME && ./Run.tgtPME SANDER: Targeted MD with PME diffing tgtmd.out.save with tgtmd.out PASSED ============================================================== cd mtmdtest && ./Run.mtmdtest SANDER: Multiply-targeted MD, new to AMBER 11 Tested on an RNA duplex. diffing mtmdtest.out.save with mtmdtest.out PASSED ============================================================== diffing mtmdtest.mdcrd.save with mtmdtest.mdcrd PASSED ============================================================== cd trajene && ./Run.trajene diffing trajene.out.save with trajene.out PASSED ============================================================== diffing mdcrd.out.save with mdcrd.out PASSED ============================================================== cd trajene_box && ./Run.trajene DO_PARALLEL set to mpirun -np 4 This test cannot be run with more than 1 processor, exiting. ============================================================ cd trajene_netcdf && ./Run.trajene netcdf.mod ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trajene: Program error make[2]: [test.sander.BASIC] Error 1 (ignored) cd alp && ./Run.alp diffing mdout.alp.save with mdout.alp PASSED ============================================================== cd umbrella && ./Run.umbrella diffing mdout.umbrella.save with mdout.umbrella PASSED ============================================================== diffing chi_vs_t.save with chi_vs_t PASSED ============================================================== cd noesy && ./Run.noesy diffing noesy.out.mpi.save with noesy.out possible FAILURE: check noesy.out.dif ============================================================== cd jar && ./Run.jarz diffing mdout.jar.save with mdout.jar PASSED ============================================================== diffing dist_vs_t.save with dist_vs_t PASSED ============================================================== cd plane_plane_restraint && ./Run.dinuc_plpt SANDER: Dinucleoside restrained with new plane-point angle restraint that was defined with new natural language restraint input. DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ cd plane_plane_restraint && ./Run.dinuc_pln SANDER: Dinucleoside restrained with new plane-plane angle restraint that was defined with new natural language restraint input. DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ cd iwrap2 && ./Run.iwrap2 diffing mdout.save with mdout.iw2 PASSED ============================================================== diffing mdcrd.save with mdcrd.iw2 PASSED ============================================================== diffing rstrt.save with rstrt.iw2 PASSED ============================================================== /bin/rm: No match. cd idecomp1 && ./run_idecomp1.sh diffing decomp.out.save with decomp.out PASSED ============================================================== cd idecomp4 && ./run_idecomp4.sh diffing decomp.out.save with decomp.out PASSED ============================================================== cd bintraj && ./Run.bintraj ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== sander was not built with netCDF support. diffing bintraj.out.save with bintraj.out possible FAILURE: check bintraj.out.dif ============================================================== make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd 4096wat && ./Run.column_fft diffing mdout.column_fft.save with mdout.column_fft PASSED ============================================================== export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd jar_multi && ./Run.jarz mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.jarz: Program error make[1]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd ti_eth2meth_gas && ./Run.test1 DO_PARALLEL set to mpirun -np 4 number of processors for this test > 2, exiting... ============================================================ export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd ti_eth2meth_gas && ./Run.test2 DO_PARALLEL set to mpirun -np 4 number of processors for this test > 2, exiting... ============================================================ export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd ti_ggcc && ./Run.test1 mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.test1: Program error make[1]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd ti_ggcc && ./Run.test2 mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.test2: Program error make[1]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; make -k test.sander.GB make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd gb_rna && ./Run.gbrna diffing mdout.gbrna.save with mdout.gbrna PASSED ============================================================== cd gb_rna && ./Run.gbrna.min diffing mdout.gbrna.min.save with mdout.gbrna.min PASSED ============================================================== cd gb_rna && ./Run.gbrna.ln diffing mdout.gbrna.ln.save with mdout.gbrna.ln PASSED ============================================================== cd gb_rna && ./Run.gbrna.ips diffing mdout.gbrna.ips.save with mdout.gbrna.ips PASSED ============================================================== cd gb_rna && ./Run.gbrna.sgld diffing mdout.gbrna.sgld.save with mdout.gbrna.sgld PASSED ============================================================== cd gbsa_xfin && ./Run.gbsa diffing mdout.gbsa.save with mdout.gbsa PASSED ============================================================== cd circ_dna && ./Run.circdna diffing mdout.circdna.save with mdout.circdna PASSED ============================================================== cd gb2_trx && ./Run.trxox diffing mdout.trxox.save with mdout.trxox PASSED ============================================================== cd gb7_trx && ./Run.trxox diffing mdout.trxox.save with mdout.trxox PASSED ============================================================== cd gb7_trx && ./Run.trxox_md diffing mdout.trxox_md.save with mdout.trxox_md PASSED ============================================================== cd gb8_trx && ./Run.trxox diffing mdout.trxox.save with mdout.trxox PASSED ============================================================== cd gb8_trx && ./Run.trxox_md diffing mdout.trxox_md.save with mdout.trxox_md PASSED ============================================================== cd alpb_trx && ./Run.trxox diffing mdout.trxox.save with mdout.trxox PASSED ============================================================== cd gb1_cox2 && ./Run.cox2 diffing cox2.out.save with cox2.out PASSED ============================================================== make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' cd rem_gb_2rep && ./Run.rem /bin/rm: No match. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== cat: rem.log: No such file or directory diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: rem.out.000: No such file or directory diffing rem.out.000.save with rem.out.000 possible FAILURE: check rem.out.000.dif ============================================================== /bin/rm: No match. cd rem_gb_4rep && ./Run.rem mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== cat: rem.log: No such file or directory diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: rem.out.000: No such file or directory diffing rem.out.000.save with rem.out.000 possible FAILURE: check rem.out.000.dif ============================================================== /bin/rm: No match. cd rem_wat && ./Run.rem /bin/rm: No match. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== cat: rem.log: No such file or directory diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: rem.out.000: No such file or directory diffing rem.out.000.save with rem.out.000 file ddtmp.rem.out.000 is short possible FAILURE: check rem.out.000.dif ============================================================== /bin/rm: No match. cd rem_hybrid && ./Run.rem /bin/rm: No match. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== cat: rem.log: No such file or directory diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: rem.out.000: No such file or directory diffing rem.out.000.save with rem.out.000 file ddtmp.rem.out.000 is short possible FAILURE: check rem.out.000.dif ============================================================== /bin/rm: No match. cd sodium && ./Run.sodium mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.sodium: Program error make[1]: [test.sander.TI] Error 1 (ignored) cd pheMTI && ./Run.0 diffing out.0.save with out.0 PASSED ============================================================== cd pheMTI && ./Run.1 diffing out.1.save with out.1 PASSED ============================================================== cd pheMTI && ./Run.lambda0 mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.lambda0: Program error make[1]: [test.sander.TI] Error 1 (ignored) cd pheMTI && ./Run.lambda1 mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.lambda1: Program error make[1]: [test.sander.TI] Error 1 (ignored) cd campTI && ./Run.campTI mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.campTI: Program error make[1]: [test.sander.TI] Error 1 (ignored) cd softcore && ./Run_sc Running the Softcore potential tests ============================================================== Minimization test DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ Protein-Ligand complex test mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.complex: Program error ============================================================== Solvation free energy test mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.toluene: Program error mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.toluene2: Program error ============================================================== Dynamic lambda test mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dynlmb: Program error ============================================================== Restrained complex test mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.complex_rst: Program error ============================================================== Using softcore electrostatics mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.ethanol: Program error ============================================================== Soft core test suite complete ============================================================== cd ti_decomp; ./Run.ti_decomp mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.ti_decomp: Program error make[1]: [test.sander.TI] Error 1 (ignored) export TESTsanderLES=/home/users3/cmt/amguo/amber/amber11/exe/sander.LES.MPI; make -k test.sander.LES make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd LES_noPME && ./Run.LESmd SANDER: LES MD gas phase diffing md.out.save with md.out PASSED ============================================================== cd LES_noPME && ./Run.LESmd.rdiel SANDER: LES MD gas phase rdiel diffing md.rdiel.out.save with md.rdiel.out PASSED ============================================================== cd LES && ./Run.PME_LES Amber 8 ADDLES and SANDER.LES test: addles: diffing output_addles.save with output_addles PASSED ============================================================== diffing LES.crd.save with LES.crd PASSED ============================================================== diffing LES.prmtop.save with LES.prmtop PASSED ============================================================== sander.LES: diffing md.LES.out.save with md.LES.out PASSED ============================================================== cd LES_CUT && ./Run.LES Amber 10 SANDER.LES test, no PME diffing md.LES.out.save with md.LES.out PASSED ============================================================== cd LES_TEMP && ./Run.2temp SANDER: LES T coupling diffing 2temp.out.save with 2temp.out PASSED ============================================================== cd LES_GB && ./Run.LES SANDER: LES+GB 1: GB/LES GB1 diffcoords diffing les.gb1.diffcrd.out.save with les.gb1.diffcrd.out PASSED ============================================================== 1: GB/LES GB1 samecoords diffing les.gb1.samecrd.out.save with les.gb1.samecrd.out PASSED ============================================================== 1: GB/LES GB5 samecoords diffing les.gb5.samecrd.out.save with les.gb5.samecrd.out PASSED ============================================================== 1: GB/LES GB7 samecoords diffing les.gb7.samecrd.out.save with les.gb7.samecrd.out PASSED ============================================================== 1: GB/LES GB7 diffcoords w/RDT diffing les.gb7.rdt.out.save with les.gb7.rdt.out PASSED ============================================================== make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' cd neb-testcases/neb_gb_partial && ./Run.neb_gb_partial mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== program error. make[1]: [test.neb] Error 1 (ignored) cd neb-testcases/neb_gb_full && ./Run.neb_gb_full mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== program error. make[1]: [test.neb] Error 1 (ignored) cd neb-testcases/neb_explicit && ./Run.neb_explicit mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== program error. make[1]: [test.neb] Error 1 (ignored) cd ncsu && ./run-parallel.sh >>>>>>> doing 'abmd_ANALYSIS' >>>>>>> doing 'abmd_FLOODING' >>>>>>> doing 'abmd_UMBRELLA' >>>>>>> doing 'smd' diffing save/mdout with mdout PASSED ============================================================== diffing save/smd.txt with smd.txt PASSED ============================================================== >>>>>>> doing 'pmd' diffing save/mdout with mdout PASSED ============================================================== diffing save/pmd.txt with pmd.txt PASSED ============================================================== >>>>>>> doing 'smd2' diffing save/mdout with mdout possible FAILURE: check mdout.dif ============================================================== cat: work.txt: No such file or directory diffing save/work.txt with work.txt possible FAILURE: check work.txt.dif ============================================================== >>>>>>> doing 'bbmd' >>>>>>> doing 'abremd' >>>>>>> doing 'mwabmd' >>>>>>> doing 'premd' cat: rem.log: No such file or directory diffing save/rem.log with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: ncsu-pmd.log: No such file or directory diffing save/ncsu-pmd.log with ncsu-pmd.log possible FAILURE: check ncsu-pmd.log.dif ============================================================== cat: pmd.1.txt: No such file or directory diffing save/pmd.1.txt with pmd.1.txt possible FAILURE: check pmd.1.txt.dif ============================================================== cat: mdout.1: No such file or directory diffing save/mdout.1 with mdout.1 possible FAILURE: check mdout.1.dif ============================================================== cat: pmd.2.txt: No such file or directory diffing save/pmd.2.txt with pmd.2.txt possible FAILURE: check pmd.2.txt.dif ============================================================== cat: mdout.2: No such file or directory diffing save/mdout.2 with mdout.2 possible FAILURE: check mdout.2.dif ============================================================== cat: pmd.3.txt: No such file or directory diffing save/pmd.3.txt with pmd.3.txt possible FAILURE: check pmd.3.txt.dif ============================================================== cat: mdout.3: No such file or directory diffing save/mdout.3 with mdout.3 possible FAILURE: check mdout.3.dif ============================================================== cat: pmd.4.txt: No such file or directory diffing save/pmd.4.txt with pmd.4.txt possible FAILURE: check pmd.4.txt.dif ============================================================== cat: mdout.4: No such file or directory diffing save/mdout.4 with mdout.4 possible FAILURE: check mdout.4.dif ============================================================== export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.LES.MPI; make -k test.sander.PIMD.partial make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd PIMD/part_pimd_water && ./Run.pimd This test not set up for parallel cannot run in parallel with #residues < #pes cd PIMD/part_nmpimd_water && ./Run.nmpimd This test not set up for parallel cannot run in parallel with #residues < #pes cd PIMD/part_pimd_helium && ./Run.pimd diffing hef_pimd.out.save with hef_pimd.out PASSED ============================================================== cd PIMD/part_nmpimd_helium && ./Run.nmpimd diffing hef_pimd.out.save with hef_pimd.out PASSED ============================================================== cd PIMD/part_nmpimd_ntp && ./Run.nmpimd diffing ntp_nmpimd.out.save with ntp_nmpimd.out PASSED ============================================================== diffing NHC.dat.save with NHC.dat PASSED ============================================================== cd PIMD/part_pimd_spcfw && ./Run.pimd diffing spcfw_pimd.top.save with spcfw_pimd.top PASSED ============================================================== diffing spcfw_pimd.xyz.save with spcfw_pimd.xyz PASSED ============================================================== diffing spcfw_pimd.out.save with spcfw_pimd.out PASSED ============================================================== cd PIMD/part_cmd_water/equilib && ./Run.cmdyn diffing h2o_les.top.save with h2o_les.top PASSED ============================================================== diffing h2o_les.crd.save with h2o_les.crd PASSED ============================================================== diffing cmd.out.save with cmd.out PASSED ============================================================== cd PIMD/part_cmd_water/start && ./Run.cmdyn diffing cmd.out.save with cmd.out PASSED ============================================================== cd PIMD/part_cmd_water/restart && ./Run.cmdyn diffing cmd.out.save with cmd.out PASSED ============================================================== cd PIMD/part_rpmd_water && ./Run.rpmd diffing spcfw_rpmd.top.save with spcfw_rpmd.top PASSED ============================================================== diffing spcfw_rpmd.xyz.save with spcfw_rpmd.xyz PASSED ============================================================== diffing spcfw_rpmd.out.save with spcfw_rpmd.out PASSED ============================================================== cd ti_mass/pent_LES_PIMD && ./Run.pentadiene This test not set up for parallel cannot run in parallel with #residues < #pes make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' cd PIMD/full_cmd_water/equilib && ./Run.full_cmd Testing Centroid MD program error. cd PIMD/full_cmd_water/start && ./Run.full_cmd Testing Centroid MD program error. cd PIMD/full_cmd_water/restart && ./Run.full_cmd Testing Centroid MD program error. cd PIMD/full_nmpimd_water && ./Run.full_pimd Testing Normal Mode PIMD program error. cd PIMD/full_pimd_amoeba && ./Run.full_pimd_amoeba Testing PIMD with amoeba force field program error. cd PIMD/full_pimd_ln_water && ./Run.full_pimd_ln Testing PIMD with langevin dynamics program error. cd PIMD/full_pimd_nhc_water && ./Run.full_pimd_nhc Testing PIMD with Nose-Hoover-Chain thermostat program error. cd PIMD/full_pimd_ntp_water && ./Run.full_pimd_ntp Testing constant pressure PIMD program error. cd PIMD/full_rpmd_water && ./Run.full_rpmd Testing RPMD program error. cd ti_mass/pentadiene && ./Run.pentadiene DO_PARALLEL set to mpirun -np 4 This test can be run only with two processes, exiting... export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd cnstph && ./Run.cnstph diffing mdout.save with mdout PASSED ============================================================== diffing cpout.save with cpout PASSED ============================================================== export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; make -k test.sander.QMMM make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_imaged forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC303AECB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B83A6CA4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B89F67C0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ACD6E525B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.oct_nma_imaged: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_noimage forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3695CAFB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4F2BD64B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B492A267B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B042A0F3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.oct_nma_noimage: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.ortho_qmewald0 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B122209FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE6E4256B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC552554B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFA1749AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.ortho_qmewald0: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.truncoct_qmewald0 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD288FE6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF7D8697B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B68432A6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2EC70B7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.truncoct_qmewald0: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8B7E35EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF9D8B32B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B99D25CBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB026533B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2453937B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B395A1D2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF7B46ADB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B125E71FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_calc_mulliken forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B63E67F3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2F17E83B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9444DB0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B044AE05B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_calc_mulliken: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7955FC0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF0EEEF3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8C3427BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7B74EFDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_alpb forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B907CD4DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD0B93EAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF9D8596B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B81E41C1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2_alpb: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq1 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC32E2B8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B033118EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0FE1531B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B71E24BDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2_aq1: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B96E76AAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC7BACB2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B990E5DDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6465A2CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2_aq2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_saltcon forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB452550B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B986186DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADADC45CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA73B3DBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2_saltcon: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_internal forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B92F96E0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B245F189B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B16A10CAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B82D48EFB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_internal: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspev forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B094FCF2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFB85901B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE5B8D11B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9CED289B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dspev: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevd forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B45855C8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1E30ABAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD904BA4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD0B487DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dspevd: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevx forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3C567FBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2D94D27B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BAA26ACAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B76171DDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dspevx: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyev forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B39567ADB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE71DF73B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB7B8340B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADBAA0ABB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dsyev: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevd forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B49BABCCB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B25718A3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2847C2DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB9B2F1FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dsyevd: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevr forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B237CA0EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B80F7AD3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE62C00EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B612BC16B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dsyevr: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_auto forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADE94916B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD6A6FE3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD5369A0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AABF9401B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_auto: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_min forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC6BEF45B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFA7130AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8162271B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AAE736C1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_min: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B16C7FD6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA1A4C56B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B80549A3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4BC6807B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq1 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AAD4578CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1F1E270B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE0010A1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8E876A7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_aq1: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B33C9E9AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7E40A77B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B161A7AEB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB9C3F5EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_aq2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_mmcorr forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD819344B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF51B610B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2D05E75B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B15D7CDAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_mmcorr: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_qmewald2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFE30AEFB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1B44467B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA878CBDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2353FD5B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_qmewald2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B191B4DEB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B34356EAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1875991B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF9DCE23B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B11305BDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B719B753B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B83D663BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5640537B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_dis_neg forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADEE9C19B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B07697BCB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3101AE4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B53830B5B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_lnk_dis_neg: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_method2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0DFB71AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD83D3F5B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB1D29F6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B376F2A6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_lnk_method2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B749D87BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADB5A754B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB5BFBFBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9D2A4F4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC27ED4DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3D8B3C7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B93B8B58B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC2A456CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B733B1D9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AABA15D5B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B65B43DAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ABB4FE2DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged_md_pme: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B260BD8AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFB57F4DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB3D903BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B576D1FAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged_md_pme_qmewald: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald_lowmem forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B75B43C8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB44B069B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B670E6F9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC3CCDB7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged_md_pme_qmewald_lowmem: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B943FE83B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB28A501B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8306C52B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5F518C0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.imaged: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADC9F82BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B28F773CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B72608E9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4F891DAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.imaged_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFF7E9FCB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8982673B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE6A978DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B15F5C13B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.img_center: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BAA52788B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE946B76B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B00B5ACFB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AEFB29EBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.img_center_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_bigqmcut_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6990EB4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4DB309BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0F92035B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B31C0D19B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.img_center_bigqmcut_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ACF6435DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B09F1103B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2F37D30B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4BCD9D1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin_md_hot_start forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B644F59EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B31D64F1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3DED6E7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1C1EA85B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_hot_start: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE879FA5B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B02E78A0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B113C22CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6DF065FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AEA02AC4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB865D98B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC1638C2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ACFC8B78B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip3p_cap: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8068D02B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE983833B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9F01B7DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF65C3FDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip3p_cap_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B458AF43B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF0CFCFCB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4A48ABBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB6F6D74B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip3p_cap_md.shake: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake_qmshakeoff forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B40A7B28B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF182185B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B00796A0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B25785E0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip3p_cap_md.shake_qmshakeoff: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6C8DA1CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4D2D0F3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1880BD3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B060A2AEB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM_MD forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B64E0681B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6F727CDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3762D44B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B807A373B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM_MD: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_lowmem && ./Run.MG_QM_water_MM_MD forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7C05404B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADAF7D13B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B537E7E6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC0263DDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM_MD: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFDD21CBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B847E22EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6506CD7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4D2F730B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM_MD forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B481B37BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B38DCDD3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFE8320BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9964885B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM_MD: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/variable_solvent && ./Run.mg_periodic_vsolv_wat forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B2084456F09 Unknown Unknown Unknown libmpich.so.1.2 00002B20844598C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2085FBDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B45A05DFF09 Unknown Unknown Unknown libmpich.so.1.2 00002B45A05E28C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B45A2146B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B8D3C5E5F09 Unknown Unknown Unknown libmpich.so.1.2 00002B8D3C5E88C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8D3E14CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002AC4FB140F09 Unknown Unknown Unknown libmpich.so.1.2 00002AC4FB1438C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC4FCCA7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.mg_periodic_vsolv_wat: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/variable_solvent && ./Run.1NLN_MD_ntb1_vsolv forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002AB40DE5CF09 Unknown Unknown Unknown libmpich.so.1.2 00002AB40DE5F8C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB40F9C3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B982EB8CF09 Unknown Unknown Unknown libmpich.so.1.2 00002B982EB8F8C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B98306F3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002AC09C141F09 Unknown Unknown Unknown libmpich.so.1.2 00002AC09C1448C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC09DCA8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002ABFFD4A9F09 Unknown Unknown Unknown libmpich.so.1.2 00002ABFFD4AC8C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ABFFF010B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_vsolv: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MMX && ./Run.crambin_md_pm3mmx forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1BF4DDBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B38968EFB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE12C49EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF4CA1E1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_pm3mmx: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; make -k test.sander.DFTB make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd qmmm_DFTB/crambin_DFTB && ./Run.crambin DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md_hot_start DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_calc_mulliken DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_alpb DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_saltcon DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_link_atoms DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_telec DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM_MD DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme_qmewald DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_bigqmcut_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut_lowmem && ./Run.MG_QM_water_MM_MD DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake_qmshakeoff DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_min DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_dis_neg DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_method2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1_disp DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/3rd-order/ala8 && ./Run.ala8_PA DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/3rd-order/ala8 && ./Run.ala8_PR DFTB SLKO files not found - Skipping Test... make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' cd evb/malon_bond_umb_GAFF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_emap_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_emap_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_nhc_full_TI-MASS && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbond_umb_dg_UFF_3DG_pimd_nhc_full_TI-MASS && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_2D-PMF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_corrF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_3DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full_TST-freqf && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ export TESTsander='../../exe/pmemd.MPI'; cd 4096wat && ./Run.pure_wat [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.pure_wat: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd 4096wat && ./Run.pure_wat_nmr_temp_reg [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.pure_wat_nmr_temp_reg: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd 4096wat && ./Run.vrand [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.vrand: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd 4096wat_oct && ./Run.pure_wat_oct [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.pure_wat_oct: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd alp && ./Run.alp [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.alp: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd cytosine && ./Run.cytosine [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.cytosine: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd dhfr && ./Run.dhfr [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd dhfr && ./Run.dhfr.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd dhfr && ./Run.dhfr.noshake [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr.noshake: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd variable_14 && ./Run.variable_14_ntb1 [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.variable_14_ntb1: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd trx && ./Run.trx [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trx: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd trx && ./Run.trx.cpln.pmemd [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trx.cpln.pmemd: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb_rna && ./Run.gbrna [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.gbrna: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb_rna && ./Run.gbrna.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.gbrna.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb_rna && ./Run.gbrna.ln [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.gbrna.ln: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd circ_dna && ./Run.circdna [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.circdna: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb2_trx && ./Run.trxox.nogbsa [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trxox.nogbsa: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb7_trx && ./Run.trxox_md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trxox_md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd alpb_trx && ./Run.trxox.nogbsa [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trxox.nogbsa: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb1_cox2 && ./Run.cox2 [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.cox2: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd tip4p && ./Run.tip4p [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip4p: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd tip4p && ./Run.tip4p_nve [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip4p_nve: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd tip5p && ./Run.tip5p [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip5p: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd tip5p && ./Run.tip5p_nve [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip5p_nve: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_charmm.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_charmm.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_charmm.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_charmm.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_cmap_pbc_charmm_noshake.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_cmap_pbc_charmm_noshake.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_cmap_pbc_charmm.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_cmap_pbc_charmm.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) Finished parallel test suite for Amber 11 at Fri Jul 29 17:23:24 PDT 2011. Some tests require 4 threads to run, while some will not run with more than 2. Please run further parallel tests with the appropriate number of processors. See README for details. make[1]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' 112 file comparisons passed 22 file comparisons failed 425 tests experienced errors