cd AmberTools/src && make install make[1]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src' Starting installation of AmberTools12 MPI at Tue Mar 12 21:29:56 IST 2013. (cd etc && make parallel) make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/etc' mpif90 -DBINTRAJ -DMPI -o numprocs numprocs.F90 /bin/cp numprocs ../../test /bin/cp numprocs ../../../test make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/etc' (cd sff && make libsff_mpi ) make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/sff' mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o binpos.o binpos.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o conjgrad.o conjgrad.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o lmodC.o lmodC.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o memutil.o memutil.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o nblist.o nblist.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o newton.o newton.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o nmode.o nmode.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o prm.o prm.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o rand2.o rand2.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o sasad.o sasad.c flex -t mm_options.l | sed -e 's/{stdout}/{DONTchangeSTDOUThere}/' -e 's/yy/mmo/g' -e 's/stdout/nabout/' -e 's/DONTchangeSTDOUThere/stdout/' > lex.mm_options.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o sff.o sff.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o time.o time.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o xminC.o xminC.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -I/export/home/kshatresh/amber12//include -o AmberNetcdf.o AmberNetcdf.c rm -f /export/home/kshatresh/amber12//lib/libsff_mpi.a ar rv /export/home/kshatresh/amber12//lib/libsff_mpi.a binpos.o conjgrad.o lmodC.o memutil.o nblist.o newton.o nmode.o prm.o rand2.o sasad.o sff.o time.o xminC.o AmberNetcdf.o a - binpos.o a - conjgrad.o a - lmodC.o a - memutil.o a - nblist.o a - newton.o a - nmode.o a - prm.o a - rand2.o a - sasad.o a - sff.o a - time.o a - xminC.o a - AmberNetcdf.o ranlib /export/home/kshatresh/amber12//lib/libsff_mpi.a make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/sff' (cd pbsa && make libinstall ) make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/pbsa' mpicc -c -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -o interface.o interface.c mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o timer.LIBPBSA.o timer.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o sa_driver.LIBPBSA.o sa_driver.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o decomp.o decomp.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_force.LIBPBSA.o pb_force.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o np_force.LIBPBSA.o np_force.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pbsaapi.LIBPBSA.o pbsaapi.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o myopen.o myopen.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_read.LIBPBSA.o pb_read.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_lsolver.o pb_lsolver.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_nlsolver.o pb_nlsolver.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_fddrv.o pb_fddrv.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_iimdrv.o pb_iimdrv.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dsvdc.o dsvdc.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o timer.o timer.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_init.LIBPBSA.o pb_init.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_exmol.LIBPBSA.o pb_exmol.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_direct.LIBPBSA.o pb_direct.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_list.LIBPBSA.o pb_list.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_write.LIBPBSA.o pb_write.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_mpfrc.o pb_mpfrc.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o rgroup.o rgroup.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o rfree.o rfree.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o iimod.o iimod.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o coed20.o coed20.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o indexg.o indexg.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o irre32.o irre32.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o phidev.o phidev.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o project.o project.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qld.o qld.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o coed6.o coed6.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o irre31.o irre31.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o miniop.o miniop.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o prodis.o prodis.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qint.o qint.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o wint.o wint.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o transf.o transf.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o curv.o curv.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o GrToPr.o GrToPr.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o jumps.o jumps.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o problem.LIBPBSA.o problem.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o IIM.o IIM.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o regular.o regular.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_augdrv.o pb_augdrv.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o gmresX.o gmresX.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o aug_iccg.o aug_iccg.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o matvec3.o matvec3.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o gmres.o gmres.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o bicg.o bicg.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dslubc.o dslubc.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dslugm.o dslugm.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o interpX.o interpX.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dchkw.o dchkw.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ds2y.o ds2y.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dgmres.o dgmres.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dslui.o dslui.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dsluti.o dsluti.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_fftsolv.LIBPBSA.o pb_fftsolv.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o fftw3.LIBPBSA.o fftw3.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_fft.LIBPBSA.o pb_fft.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dsmv.o dsmv.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dsmtv.o dsmtv.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dsilus.o dsilus.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dbcg.o dbcg.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dpigmr.o dpigmr.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dslui2.o dslui2.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dslui4.o dslui4.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o isdbcg.o isdbcg.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qs2i1d.o qs2i1d.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o xermsg.o xermsg.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o d1mach.o d1mach.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o xercnt.o xercnt.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o xerhlt.o xerhlt.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o drlcal.o drlcal.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o j4save.o j4save.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o isdgmr.o isdgmr.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o fdump.o fdump.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o xerprn.o xerprn.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dorth.o dorth.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dhels.o dhels.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o xersve.o xersve.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dheqr.o dheqr.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o i1mach.o i1mach.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o xgetua.o xgetua.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dxlcal.o dxlcal.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o svdcmp.o svdcmp.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o svbksb.o svbksb.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pythag.o pythag.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o gen_dx_file.LIBPBSA.o gen_dx_file.F90 mpif90 -DBINTRAJ -DMPI -DLIBPBSA -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o membrane.LIBPBSA.o membrane.F90 cd ../lib && make nxtsec.o random.o make[3]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/lib' mpif90 -DBINTRAJ -DMPI -c -O0 -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o nxtsec.o nxtsec.F mpif90 -DBINTRAJ -DMPI -c -FR -O0 -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o random.o random.F90 make[3]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/lib' rm -f libpbsa.a ar rv libpbsa.a interface.o pbsaapi.LIBPBSA.o myopen.o pb_read.LIBPBSA.o pb_force.LIBPBSA.o pb_fddrv.o pb_iimdrv.o sa_driver.LIBPBSA.o pb_nlsolver.o pb_lsolver.o dsvdc.o timer.o pb_init.LIBPBSA.o pb_exmol.LIBPBSA.o np_force.LIBPBSA.o pb_direct.LIBPBSA.o pb_list.LIBPBSA.o pb_write.LIBPBSA.o pb_mpfrc.o decomp.o rgroup.o rfree.o coed20.o indexg.o irre32.o phidev.o project.o qld.o coed6.o irre31.o miniop.o iimod.o prodis.o qint.o wint.o transf.o curv.o GrToPr.o jumps.o problem.LIBPBSA.o IIM.o regular.o pb_augdrv.o gmresX.o matvec3.o gmres.o bicg.o project.o transf.o dslubc.o dslugm.o curv.o irre31.o irre32.o interpX.o wint.o dchkw.o ds2y.o GrToPr.o dgmres.o dslui.o dsluti.o pb_fftsolv.LIBPBSA.o pb_fft.LIBPBSA.o dsmv.o dsmtv.o dsilus.o jumps.o dbcg.o qld.o phidev.o dpigmr.o dslui2.o dslui4.o isdbcg.o qs2i1d.o xermsg.o d1mach.o xercnt.o xerhlt.o drlcal.o j4save.o isdgmr.o fdump.o xerprn.o dorth.o dhels.o xersve.o dheqr.o i1mach.o xgetua.o dxlcal.o fftw3.LIBPBSA.o svdcmp.o svbksb.o pythag.o aug_iccg.o gen_dx_file.LIBPBSA.o membrane.LIBPBSA.o ../lib/random.o a - interface.o a - pbsaapi.LIBPBSA.o a - myopen.o a - pb_read.LIBPBSA.o a - pb_force.LIBPBSA.o a - pb_fddrv.o a - pb_iimdrv.o a - sa_driver.LIBPBSA.o a - pb_nlsolver.o a - pb_lsolver.o a - dsvdc.o a - timer.o a - pb_init.LIBPBSA.o a - pb_exmol.LIBPBSA.o a - np_force.LIBPBSA.o a - pb_direct.LIBPBSA.o a - pb_list.LIBPBSA.o a - pb_write.LIBPBSA.o a - pb_mpfrc.o a - decomp.o a - rgroup.o a - rfree.o a - coed20.o a - indexg.o a - irre32.o a - phidev.o a - project.o a - qld.o a - coed6.o a - irre31.o a - miniop.o a - iimod.o a - prodis.o a - qint.o a - wint.o a - transf.o a - curv.o a - GrToPr.o a - jumps.o a - problem.LIBPBSA.o a - IIM.o a - regular.o a - pb_augdrv.o a - gmresX.o a - matvec3.o a - gmres.o a - bicg.o a - project.o a - transf.o a - dslubc.o a - dslugm.o a - curv.o a - irre31.o a - irre32.o a - interpX.o a - wint.o a - dchkw.o a - ds2y.o a - GrToPr.o a - dgmres.o a - dslui.o a - dsluti.o a - pb_fftsolv.LIBPBSA.o a - pb_fft.LIBPBSA.o a - dsmv.o a - dsmtv.o a - dsilus.o a - jumps.o a - dbcg.o a - qld.o a - phidev.o a - dpigmr.o a - dslui2.o a - dslui4.o a - isdbcg.o a - qs2i1d.o a - xermsg.o a - d1mach.o a - xercnt.o a - xerhlt.o a - drlcal.o a - j4save.o a - isdgmr.o a - fdump.o a - xerprn.o a - dorth.o a - dhels.o a - xersve.o a - dheqr.o a - i1mach.o a - xgetua.o a - dxlcal.o a - fftw3.LIBPBSA.o a - svdcmp.o a - svbksb.o a - pythag.o a - aug_iccg.o a - gen_dx_file.LIBPBSA.o a - membrane.LIBPBSA.o a - ../lib/random.o ranlib libpbsa.a /bin/mv libpbsa.a /export/home/kshatresh/amber12//lib make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/pbsa' (cd byacc && make install ) make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/byacc' mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o closure.o closure.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o error.o error.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o lalr.o lalr.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o lr0.o lr0.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o main.o main.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o mkpar.o mkpar.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o output.o output.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o reader.o reader.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o skeleton.o skeleton.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o symtab.o symtab.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o verbose.o verbose.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o warshall.o warshall.c mv yacc /export/home/kshatresh/amber12//bin make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/byacc' (cd ucpp-1.3 && make install ) make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/ucpp-1.3' mpicc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DSTAND_ALONE mem.c mpicc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DSTAND_ALONE nhash.c mpicc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DSTAND_ALONE cpp.c mpicc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DSTAND_ALONE lexer.c mpicc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DSTAND_ALONE assert.c mpicc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DSTAND_ALONE macro.c mpicc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DSTAND_ALONE eval.c mpicc -shared-intel -o ucpp mem.o nhash.o cpp.o lexer.o assert.o macro.o eval.o mv ucpp /export/home/kshatresh/amber12//bin make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/ucpp-1.3' (if [ "no" = "yes" ]; then \ cd rism && make install_mpi ; \ fi; \ ) (cd nab && make install ) make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/nab' mpicc -DCC='"mpicc"' -DCPP='"ucpp -l"' -DFLIBS='"-lsff_mpi -lpbsa -larpack -llapack -lblas -L/export/home/kshatresh/amber12//lib -lnetcdf -L/opt/intel/Compiler/11.1/046/lib/intel64/ -lifport -lifcore -lsvml "' \ -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI \ -shared-intel -o /export/home/kshatresh/amber12//bin/mpinab nab.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o nab2c.o nab2c.c flex nablex.l /export/home/kshatresh/amber12//bin/yacc -d nabgrm.y mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o cgen.o cgen.c mpicc -c -Dflex -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI y.tab.c (cd ../semantics; make) make[3]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/semantics' mpicc -DDATDIR='"/export/home/kshatresh/amber12//dat"' -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI \ -shared-intel -o parse parse.c ./parse *.rules make[3]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/semantics' mv ../semantics/checkexpr.c . mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o checkexpr.o checkexpr.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o dumpnode.o dumpnode.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o errormsg.o errormsg.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o fixexpr.o fixexpr.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o genavscode.o genavscode.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o node.o node.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o symbol.o symbol.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -shared-intel \ -o /export/home/kshatresh/amber12//bin/mpinab2c nab2c.o cgen.o checkexpr.o dumpnode.o errormsg.o fixexpr.o genavscode.o node.o symbol.o y.tab.o /export/home/kshatresh/amber12//bin/mpinab -c allatom_to_dna3.nab mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o axis2frame.o axis2frame.c mpicc -c -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI bonded_atoms.c mpicc -c -DAMBERHOME='"/export/home/kshatresh/amber12/"' -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI boundsutil.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o chirvol.o chirvol.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o database.o database.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o deform_ener.o deform_ener.c /export/home/kshatresh/amber12//bin/mpinab -c dna3.nab /export/home/kshatresh/amber12//bin/mpinab -c dna3_to_allatom.nab mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o dump.o dump.c flex -t dg_options.l | sed -e 's/{stdout}/{DONTchangeSTDOUThere}/' -e 's/yy/dgo/g' -e 's/stdout/nabout/' -e 's/DONTchangeSTDOUThere/stdout/' > lex.dg_options.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI embed.c /export/home/kshatresh/amber12//bin/mpinab -c fd_helix.nab mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o frameutil.o frameutil.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o getdist.o getdist.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o gsub.o gsub.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o hashutil.o hashutil.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o jacobi.o jacobi.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o match.o match.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o matop.o matop.c mpicc -c -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI molio.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o molsurf.o molsurf.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o molutil.o molutil.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o nab2avs.o nab2avs.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o nab2geom.o nab2geom.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o pointutil.o pointutil.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o prm.o prm.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o regexp.o regexp.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o reslib.o reslib.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o select_atoms.o select_atoms.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o traceback.o traceback.c mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI mme_init.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o stringutil.o stringutil.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o temputil.o temputil.c mpicc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -c -o tm_malloc.o tm_malloc.c /export/home/kshatresh/amber12//bin/mpinab -c bdna.nab /export/home/kshatresh/amber12//bin/mpinab -c dg_helix.nab /export/home/kshatresh/amber12//bin/mpinab -c getchivol.nab /export/home/kshatresh/amber12//bin/mpinab -c getres.nab /export/home/kshatresh/amber12//bin/mpinab -c getseq_from_pdb.nab /export/home/kshatresh/amber12//bin/mpinab -c getxyz_from_pdb.nab /export/home/kshatresh/amber12//bin/mpinab -c getpdb_prm.nab /export/home/kshatresh/amber12//bin/mpinab -c getpdb_rlb.nab /export/home/kshatresh/amber12//bin/mpinab -c linkprot.nab /export/home/kshatresh/amber12//bin/mpinab -c link_na.nab /export/home/kshatresh/amber12//bin/mpinab -c na_anal.nab /export/home/kshatresh/amber12//bin/mpinab -c setboundsfromdb.nab /export/home/kshatresh/amber12//bin/mpinab -c setchiplane.nab /export/home/kshatresh/amber12//bin/mpinab -c wc_basepair.nab /export/home/kshatresh/amber12//bin/mpinab -c wc_complement.nab /export/home/kshatresh/amber12//bin/mpinab -c wc_helix.nab /export/home/kshatresh/amber12//bin/mpinab -c yammp.nab rm -f libnab.a ar rv libnab.a allatom_to_dna3.o axis2frame.o bonded_atoms.o boundsutil.o chirvol.o database.o deform_ener.o dna3.o dna3_to_allatom.o dump.o embed.o fd_helix.o frameutil.o getdist.o gsub.o hashutil.o jacobi.o match.o matop.o molio.o molsurf.o molutil.o nab2avs.o nab2geom.o pointutil.o prm.o regexp.o reslib.o select_atoms.o traceback.o mme_init.o stringutil.o temputil.o tm_malloc.o bdna.o dg_helix.o getchivol.o getres.o getseq_from_pdb.o getxyz_from_pdb.o getpdb_prm.o getpdb_rlb.o linkprot.o link_na.o na_anal.o setboundsfromdb.o setchiplane.o wc_basepair.o wc_complement.o wc_helix.o yammp.o a - allatom_to_dna3.o a - axis2frame.o a - bonded_atoms.o a - boundsutil.o a - chirvol.o a - database.o a - deform_ener.o a - dna3.o a - dna3_to_allatom.o a - dump.o a - embed.o a - fd_helix.o a - frameutil.o a - getdist.o a - gsub.o a - hashutil.o a - jacobi.o a - match.o a - matop.o a - molio.o a - molsurf.o a - molutil.o a - nab2avs.o a - nab2geom.o a - pointutil.o a - prm.o a - regexp.o a - reslib.o a - select_atoms.o a - traceback.o a - mme_init.o a - stringutil.o a - temputil.o a - tm_malloc.o a - bdna.o a - dg_helix.o a - getchivol.o a - getres.o a - getseq_from_pdb.o a - getxyz_from_pdb.o a - getpdb_prm.o a - getpdb_rlb.o a - linkprot.o a - link_na.o a - na_anal.o a - setboundsfromdb.o a - setchiplane.o a - wc_basepair.o a - wc_complement.o a - wc_helix.o a - yammp.o ranlib libnab.a mv -f libnab.a /export/home/kshatresh/amber12//lib rm -f /export/home/kshatresh/amber12//include/nabcode.h /export/home/kshatresh/amber12//include/defreal.h /export/home/kshatresh/amber12//include/nab.h cp nabcode.h /export/home/kshatresh/amber12//include cp nabtypes.h /export/home/kshatresh/amber12//include cp defreal.h /export/home/kshatresh/amber12//include cp nab.h /export/home/kshatresh/amber12//include cp xmin_opt.h lmod_opt.h nab_netcdf.h /export/home/kshatresh/amber12//include cp lmodprmtop /export/home/kshatresh/amber12//bin make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/nab' (cd parmed && make parallel ) make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/parmed' ./setup.sh /export/home/kshatresh/amber12//bin /usr/bin/python2.6 par make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/parmed' (cd mmpbsa_py && make parallel ) make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/mmpbsa_py' /bin/bash setup.sh /export/home/kshatresh/amber12//bin /usr/bin/python2.6 par Building mpi4py (this may take a while)... Done building mpi4py. make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/mmpbsa_py' (if [ "no" = "yes" ]; then \ cd rism && make rism3d.snglpnt.MPI ; \ fi; \ ) Installation of AmberTools12 MPI is complete at Tue Mar 12 21:33:28 IST 2013. make[1]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src' make[1]: Entering directory `/export/home/kshatresh/amber12/src' Starting installation of Amber12 (parallel) at Tue Mar 12 21:33:28 IST 2013. cd ../AmberTools/src/etc && make parallel make[2]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/etc' mpif90 -DBINTRAJ -DMPI -o numprocs numprocs.F90 /bin/cp numprocs ../../test /bin/cp numprocs ../../../test make[2]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/etc' cd sander && make parallel make[2]: Entering directory `/export/home/kshatresh/amber12/src/sander' cd ../../AmberTools/src/sqm && make libsqm make[3]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/sqm' mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o constants.o constants.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o utilitiesModule.o utilitiesModule.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qmmm_qmtheorymodule.o qmmm_qmtheorymodule.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qmmm_nml_module.o qmmm_nml_module.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o elementOrbitalIndex.o elementOrbitalIndex.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qmmm_struct_module.o qmmm_struct_module.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o file_io_dat.o file_io_dat.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qmmm_vsolv_module.o qmmm_vsolv_module.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_params_module.o qm2_params_module.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qmmm_module.o qmmm_module.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_allocate_e_repul.o qm2_allocate_e_repul.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_calc_charges.o qm2_calc_charges.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_calc_dipole.o qm2_calc_dipole.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_calc_rij_and_eqns.o qm2_calc_rij_and_eqns.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dihed.o qm2_dihed.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_fock.o qm2_fock.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_pm6_hof_module.o qm2_pm6_hof_module.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dh_correction_module.o dh_correction_module.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o rotation.o rotation.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o slater_overlap.o slater_overlap.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o MNDOChargeSeparation.o MNDOChargeSeparation.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_fock_d.o qm2_fock_d.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_get_qm_forces.o qm2_get_qm_forces.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o opnq_Erep.o opnq_Erep.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o opnq_Edisp.o opnq_Edisp.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o opnq_Evdw.o opnq_Evdw.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o parameterReader.o parameterReader.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_parameters.o qm2_parameters.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o opnq_SwitchMod.o opnq_SwitchMod.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o opnq.o opnq.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_get_qmmm_forces.o qm2_get_qmmm_forces.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_h1elec.o qm2_h1elec.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_hcore_qmqm.o qm2_hcore_qmqm.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_hcore_qmmm.o qm2_hcore_qmmm.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_identify_peptide_links.o qm2_identify_peptide_links.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_diagonalizer_module.o qm2_diagonalizer_module.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_load_params_and_allocate.o qm2_load_params_and_allocate.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_repp.o qm2_repp.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_rotate_qmqm.o qm2_rotate_qmqm.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_core_core_repulsion.o qm2_core_core_repulsion.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_core_core_repulsion_dxyz.o qm2_core_core_repulsion_dxyz.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_iterator_mod.o qm2_iterator_mod.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_setup_orb_exp.o qm2_setup_orb_exp.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_smallest_number.o qm2_smallest_number.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_fock_predict.o qm2_fock_predict.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm_gb.o qm_gb.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm_zero_charges.o qm_zero_charges.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm_assign_atom_types.o qm_assign_atom_types.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm_link_atoms.o qm_link_atoms.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_print_charges.o qm2_print_charges.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_print_bondorders.o qm2_print_bondorders.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_module.o qm2_dftb_module.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_broyden.o qm2_dftb_broyden.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_dispersion_egr.o qm2_dftb_dispersion_egr.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_dispersion_params.o qm2_dftb_dispersion_params.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_dispersionread.o qm2_dftb_dispersionread.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_energy.o qm2_dftb_energy.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_ewevge.o qm2_dftb_ewevge.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_externalshift.o qm2_dftb_externalshift.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_fermi.o qm2_dftb_fermi.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_get_qm_forces.o qm2_dftb_get_qm_forces.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_gamma.o qm2_dftb_gamma.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_gammamat.o qm2_dftb_gammamat.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_get_qmmm_forces.o qm2_dftb_get_qmmm_forces.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_gettab.o qm2_dftb_gettab.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_load_params.o qm2_dftb_load_params.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_mulliken.o qm2_dftb_mulliken.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_repulsiv.o qm2_dftb_repulsiv.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_self.o qm2_dftb_self.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_shift.o qm2_dftb_shift.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_skpar.o qm2_dftb_skpar.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_slkode.o qm2_dftb_slkode.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_slktrafo.o qm2_dftb_slktrafo.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_read_cm3.o qm2_dftb_read_cm3.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_cm3.o qm2_dftb_cm3.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_gb.o qm2_dftb_gb.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_3rd_order.o qm2_dftb_3rd_order.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_h1elec_d.o qm2_h1elec_d.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_repp_d.o qm2_repp_d.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_print_energy.o qm2_print_energy.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm_print_info.o qm_print_info.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_energy.o qm2_energy.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o findmask.o findmask.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_read_nm_and_alloc.o qm2_read_nm_and_alloc.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_scf.o qm2_scf.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_ewald.o qm2_dftb_ewald.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o qm2_dftb_scf.o qm2_dftb_scf.F90 ar rv libsqm.a qm2_allocate_e_repul.o qm2_calc_charges.o qm2_calc_dipole.o qm2_calc_rij_and_eqns.o qm2_dihed.o qm2_fock.o qm2_get_qm_forces.o qm2_get_qmmm_forces.o qm2_h1elec.o qm2_hcore_qmqm.o qm2_hcore_qmmm.o qm2_identify_peptide_links.o qm2_load_params_and_allocate.o qm2_repp.o qm2_rotate_qmqm.o qm2_core_core_repulsion.o qm2_core_core_repulsion_dxyz.o qm2_iterator_mod.o qm2_diagonalizer_module.o qm2_setup_orb_exp.o qm2_smallest_number.o qm2_fock_predict.o qm_gb.o qm_zero_charges.o qm_assign_atom_types.o qm_link_atoms.o qm2_print_charges.o qmmm_qmtheorymodule.o qm2_print_bondorders.o qm2_pm6_hof_module.o qm2_params_module.o qm2_dftb_module.o qm2_dftb_broyden.o qm2_dftb_dispersion_egr.o qm2_dftb_dispersion_params.o qm2_dftb_dispersionread.o qm2_dftb_energy.o qm2_dftb_ewevge.o qm2_dftb_externalshift.o qm2_dftb_fermi.o qm2_dftb_get_qm_forces.o qm2_dftb_gamma.o qm2_dftb_gammamat.o qm2_dftb_get_qmmm_forces.o qm2_dftb_gettab.o qm2_dftb_load_params.o qm2_dftb_mulliken.o qm2_dftb_repulsiv.o qm2_dftb_self.o qm2_dftb_shift.o qm2_dftb_skpar.o qm2_dftb_slkode.o qm2_dftb_slktrafo.o qm2_dftb_read_cm3.o qm2_dftb_cm3.o qm2_dftb_gb.o qm2_dftb_3rd_order.o qmmm_module.o qmmm_nml_module.o qmmm_struct_module.o qmmm_vsolv_module.o qm2_parameters.o dh_correction_module.o utilitiesModule.o elementOrbitalIndex.o parameterReader.o slater_overlap.o qm2_h1elec_d.o rotation.o qm2_repp_d.o opnq_Edisp.o opnq_Erep.o opnq_Evdw.o opnq.o opnq_SwitchMod.o qm2_fock_d.o MNDOChargeSeparation.o qm2_print_energy.o qm_print_info.o qm2_energy.o qm2_read_nm_and_alloc.o qm2_scf.o qm2_dftb_ewald.o qm2_dftb_scf.o a - qm2_allocate_e_repul.o a - qm2_calc_charges.o a - qm2_calc_dipole.o a - qm2_calc_rij_and_eqns.o a - qm2_dihed.o a - qm2_fock.o a - qm2_get_qm_forces.o a - qm2_get_qmmm_forces.o a - qm2_h1elec.o a - qm2_hcore_qmqm.o a - qm2_hcore_qmmm.o a - qm2_identify_peptide_links.o a - qm2_load_params_and_allocate.o a - qm2_repp.o a - qm2_rotate_qmqm.o a - qm2_core_core_repulsion.o a - qm2_core_core_repulsion_dxyz.o a - qm2_iterator_mod.o a - qm2_diagonalizer_module.o a - qm2_setup_orb_exp.o a - qm2_smallest_number.o a - qm2_fock_predict.o a - qm_gb.o a - qm_zero_charges.o a - qm_assign_atom_types.o a - qm_link_atoms.o a - qm2_print_charges.o a - qmmm_qmtheorymodule.o a - qm2_print_bondorders.o a - qm2_pm6_hof_module.o a - qm2_params_module.o a - qm2_dftb_module.o a - qm2_dftb_broyden.o a - qm2_dftb_dispersion_egr.o a - qm2_dftb_dispersion_params.o a - qm2_dftb_dispersionread.o a - qm2_dftb_energy.o a - qm2_dftb_ewevge.o a - qm2_dftb_externalshift.o a - qm2_dftb_fermi.o a - qm2_dftb_get_qm_forces.o a - qm2_dftb_gamma.o a - qm2_dftb_gammamat.o a - qm2_dftb_get_qmmm_forces.o a - qm2_dftb_gettab.o a - qm2_dftb_load_params.o a - qm2_dftb_mulliken.o a - qm2_dftb_repulsiv.o a - qm2_dftb_self.o a - qm2_dftb_shift.o a - qm2_dftb_skpar.o a - qm2_dftb_slkode.o a - qm2_dftb_slktrafo.o a - qm2_dftb_read_cm3.o a - qm2_dftb_cm3.o a - qm2_dftb_gb.o a - qm2_dftb_3rd_order.o a - qmmm_module.o a - qmmm_nml_module.o a - qmmm_struct_module.o a - qmmm_vsolv_module.o a - qm2_parameters.o a - dh_correction_module.o a - utilitiesModule.o a - elementOrbitalIndex.o a - parameterReader.o a - slater_overlap.o a - qm2_h1elec_d.o a - rotation.o a - qm2_repp_d.o a - opnq_Edisp.o a - opnq_Erep.o a - opnq_Evdw.o a - opnq.o a - opnq_SwitchMod.o a - qm2_fock_d.o a - MNDOChargeSeparation.o a - qm2_print_energy.o a - qm_print_info.o a - qm2_energy.o a - qm2_read_nm_and_alloc.o a - qm2_scf.o a - qm2_dftb_ewald.o a - qm2_dftb_scf.o ranlib libsqm.a mv libsqm.a /export/home/kshatresh/amber12//lib make[3]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/sqm' mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o file_io_dat.o file_io_dat.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o constants.o constants.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o state.o state.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o memory_module.o memory_module.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o stack.o stack.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o nose_hoover.o nose_hoover.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o nose_hoover_vars.o nose_hoover_vars.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pimd_vars.o pimd_vars.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o cmd_vars.o cmd_vars.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o nose_hoover_init.o nose_hoover_init.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o trace.o trace.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o findmask.o findmask.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o parms.o parms.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o softcore.o softcore.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o decomp.o decomp.F90 cd ../../AmberTools/src/pbsa && make libFpbsa.a make[3]: Entering directory `/export/home/kshatresh/amber12/AmberTools/src/pbsa' /bin/rm -f decomp.o decomp.mod DECOMP.mod cp ../../../src/sander/decomp.o . cp ../../../src/sander/decomp.mod . mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o timer.SANDER.o timer.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o sa_driver.SANDER.o sa_driver.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o pb_force.SANDER.o pb_force.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o np_force.SANDER.o np_force.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o pb_exmol.SANDER.o pb_exmol.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o pb_mpfrc.SANDER.o pb_mpfrc.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o pb_direct.SANDER.o pb_direct.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o pb_list.SANDER.o pb_list.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o pb_read.SANDER.o pb_read.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o pb_write.SANDER.o pb_write.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -O0 -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o pb_init.SANDER.o pb_init.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o problem.SANDER.o problem.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o daxpy.o daxpy.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ddot.o ddot.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dscal.o dscal.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dnrm2.o dnrm2.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o dcopy.o dcopy.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o gen_dx_file.SANDER.o gen_dx_file.F90 mpif90 -DBINTRAJ -DMPI -DSANDER -c -ip -O3 -xHost -FR -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -I../../../src/sander \ -o membrane.SANDER.o membrane.F90 ar rv libFpbsa.a dsvdc.o sa_driver.SANDER.o pb_nlsolver.o pb_lsolver.o aug_iccg.o pb_force.SANDER.o np_force.SANDER.o pb_exmol.SANDER.o pb_mpfrc.SANDER.o pb_direct.SANDER.o pb_list.SANDER.o pb_read.SANDER.o pb_write.SANDER.o pb_init.SANDER.o pb_fddrv.o pb_iimdrv.o timer.SANDER.o coed20.o indexg.o irre32.o phidev.o project.o qld.o coed6.o irre31.o miniop.o iimod.o prodis.o qint.o wint.o transf.o curv.o GrToPr.o jumps.o problem.SANDER.o IIM.o regular.o gmres.o daxpy.o ddot.o dheqr.o dpigmr.o dscal.o dslui2.o dxlcal.o dchkw.o dgmres.o dnrm2.o drlcal.o dsilus.o dslui.o isdgmr.o dcopy.o dhels.o dorth.o ds2y.o dslugm.o dsmv.o qs2i1d.o d1mach.o fdump.o i1mach.o j4save.o xercnt.o xerhlt.o xermsg.o xerprn.o xersve.o xgetua.o bicg.o dbcg.o dslui4.o dsluti.o dsmtv.o dslubc.o isdbcg.o svdcmp.o svbksb.o pythag.o gen_dx_file.SANDER.o membrane.SANDER.o a - dsvdc.o a - sa_driver.SANDER.o a - pb_nlsolver.o a - pb_lsolver.o a - aug_iccg.o a - pb_force.SANDER.o a - np_force.SANDER.o a - pb_exmol.SANDER.o a - pb_mpfrc.SANDER.o a - pb_direct.SANDER.o a - pb_list.SANDER.o a - pb_read.SANDER.o a - pb_write.SANDER.o a - pb_init.SANDER.o a - pb_fddrv.o a - pb_iimdrv.o a - timer.SANDER.o a - coed20.o a - indexg.o a - irre32.o a - phidev.o a - project.o a - qld.o a - coed6.o a - irre31.o a - miniop.o a - iimod.o a - prodis.o a - qint.o a - wint.o a - transf.o a - curv.o a - GrToPr.o a - jumps.o a - problem.SANDER.o a - IIM.o a - regular.o a - gmres.o a - daxpy.o a - ddot.o a - dheqr.o a - dpigmr.o a - dscal.o a - dslui2.o a - dxlcal.o a - dchkw.o a - dgmres.o a - dnrm2.o a - drlcal.o a - dsilus.o a - dslui.o a - isdgmr.o a - dcopy.o a - dhels.o a - dorth.o a - ds2y.o a - dslugm.o a - dsmv.o a - qs2i1d.o a - d1mach.o a - fdump.o a - i1mach.o a - j4save.o a - xercnt.o a - xerhlt.o a - xermsg.o a - xerprn.o a - xersve.o a - xgetua.o a - bicg.o a - dbcg.o a - dslui4.o a - dsluti.o a - dsmtv.o a - dslubc.o a - isdbcg.o a - svdcmp.o a - svbksb.o a - pythag.o a - gen_dx_file.SANDER.o a - membrane.SANDER.o ranlib libFpbsa.a /bin/mv libFpbsa.a /export/home/kshatresh/amber12//lib /bin/rm -f decomp.o decomp.mod DECOMP.mod make[3]: Leaving directory `/export/home/kshatresh/amber12/AmberTools/src/pbsa' test -e poisson_boltzmann.o || touch poisson_boltzmann.o mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o rmsgrd.o rmsgrd.F90 test -e netcdf.o || touch netcdf.o mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o sglds.o sglds.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-constants.o ncsu-constants.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-colvar-type.o ncsu-colvar-type.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-sander-proxy.o ncsu-sander-proxy.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-utils.o ncsu-utils.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-colvar-math.o ncsu-colvar-math.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-colvar-utils.o ncsu-colvar-utils.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-ANGLE.o ncsu-cv-ANGLE.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-TORSION.o ncsu-cv-TORSION.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o amoeba_mdin.o amoeba_mdin.F90 test -e qmmm_module.o || touch qmmm_module.o mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o nonbond_list.o nonbond_list.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-DISTANCE.o ncsu-cv-DISTANCE.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-rmsd.o ncsu-rmsd.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-MULTI_RMSD.o ncsu-cv-MULTI_RMSD.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-R_OF_GYRATION.o ncsu-cv-R_OF_GYRATION.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-HANDEDNESS.o ncsu-cv-HANDEDNESS.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-N_OF_BONDS.o ncsu-cv-N_OF_BONDS.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-N_OF_STRUCTURES.o ncsu-cv-N_OF_STRUCTURES.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-LCOD.o ncsu-cv-LCOD.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-COS_OF_DIHEDRAL.o ncsu-cv-COS_OF_DIHEDRAL.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-COM_ANGLE.o ncsu-cv-COM_ANGLE.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-COM_TORSION.o ncsu-cv-COM_TORSION.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-COM_DISTANCE.o ncsu-cv-COM_DISTANCE.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cv-PCA.o ncsu-cv-PCA.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-value.o ncsu-value.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-cftree.o ncsu-cftree.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-read-pca.o ncsu-read-pca.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-colvar.o ncsu-colvar.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-lexer.o ncsu-lexer.F90 mpif90 -DBINTRAJ -DMPI -c -O0 -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-parser.o ncsu-parser.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-pmd-hooks.o ncsu-pmd-hooks.F90 mpif90 -DBINTRAJ -DMPI -c -ip -O3 -xHost -FR -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/export/home/kshatresh/amber12//include -I/export/home/kshatresh/amber12//include -o ncsu-umbrella.o ncsu-umbrella.F90 make[2]: Leaving directory `/export/home/kshatresh/amber12/src/sander' make[1]: Leaving directory `/export/home/kshatresh/amber12/src'