export TESTsander=/opt/amber9/exe/sander.MPI; make test.sander.BASIC make[1]: Entering directory `/opt/amber9/test' cd dmp; ./Run.dmp This test not set up for parallel cannot run in parallel with #residues < #pes cd adenine; ./Run.adenine This test not set up for parallel cannot run in parallel with #residues < #pes ============================================================== 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 dhfr; ./Run.dhfr diffing mdout.dhfr.save with mdout.dhfr 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 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 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 rstdip.save with rstdip PASSED ============================================================== diffing restrt.save with restrt 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 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 6 too many processors for this test, exiting ============================================================ 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 trajene; ./Run.trajene diffing trajene.out.save with trajene.out PASSED ============================================================== cd alp; ./Run.alp diffing mdout.alp.save with mdout.alp PASSED ============================================================== cd pb_pgb; ./Run.pbpgb diffing mdout.pbpgb.save with mdout.pbpgb 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 PASSED ============================================================== cd jar; ./Run.jar diffing mdout.jar.save with mdout.jar PASSED ============================================================== diffing dist_vs_t.save with dist_vs_t PASSED ============================================================== cd bintraj; ./Run.bintraj sander and ptraj: test sander netCDF output and ptraj netCDF input ./Run.bintraj: Program error make[1]: Leaving directory `/opt/amber9/test' export TESTsander=/opt/amber9/exe/sander.MPI; cd 4096wat; ./Run.column_fft ASSERTion ' processor == numtasks ' failed in spatial_fft.f at line 488. ASSERTion ' processor == numtasks ' failed in spatial_fft.f at line 488. ASSERTion ' processor == numtasks ' failed in spatial_fft.f at line 488. ASSERTion ' processor == numtasks ' failed in spatial_fft.f at line 488. ASSERTion ' processor == numtasks ' failed in spatial_fft.f at line 488. ./Run.column_fft: Program error