192:~/amber8/src/sander root# make parallel /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 trace.f > _trace.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o trace.o _trace.f ** trace === End of Compilation 1 === 1501-510 Compilation successful for file _trace.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 lmod.f > _lmod.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o lmod.o _lmod.f ** lmod_driver === End of Compilation 1 === 1501-510 Compilation successful for file _lmod.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 decomp.f > _decomp.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o decomp.o _decomp.f ** decomp === End of Compilation 1 === 1501-510 Compilation successful for file _decomp.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 icosasurf.f > _icosasurf.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o icosasurf.o _icosasurf.f ** icosasurf === End of Compilation 1 === "_icosasurf.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _icosasurf.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 egb.f > _egb.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o egb.o _egb.f ** genborn === End of Compilation 1 === "_egb.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _egb.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 findmask.f > _findmask.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o findmask.o _findmask.f ** findmask === End of Compilation 1 === 1501-510 Compilation successful for file _findmask.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 pb_force.f > _pb_force.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o pb_force.o _pb_force.f ** poisson_boltzmann === End of Compilation 1 === "_pb_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _pb_force.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 fastwt.f > _fastwt.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o fastwt.o _fastwt.f ** fastwt === End of Compilation 1 === "_fastwt.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _fastwt.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 sander.f > _sander.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o sander.o _sander.f ** multisander === End of Compilation 1 === ** sander === End of Compilation 2 === ** trajene === End of Compilation 3 === ** esp === End of Compilation 4 === 1501-510 Compilation successful for file _sander.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 cshf.f > _cshf.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o cshf.o _cshf.f ** cshf === End of Compilation 1 === ** elstat === End of Compilation 2 === "_cshf.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_cshf.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _cshf.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 noecalc.f > _noecalc.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o noecalc.o _noecalc.f ** noecalc === End of Compilation 1 === 1501-510 Compilation successful for file _noecalc.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 noeread.f > _noeread.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o noeread.o _noeread.f ** noeread === End of Compilation 1 === 1501-510 Compilation successful for file _noeread.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 caldis.f > _caldis.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o caldis.o _caldis.f ** caldis === End of Compilation 1 === "_caldis.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _caldis.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 calrate.f > _calrate.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o calrate.o _calrate.f ** calrate === End of Compilation 1 === "_calrate.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _calrate.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 dinten.f > _dinten.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o dinten.o _dinten.f ** dinten === End of Compilation 1 === "_dinten.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _dinten.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 drates.f > _drates.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o drates.o _drates.f ** drates === End of Compilation 1 === 1501-510 Compilation successful for file _drates.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 indexn.f > _indexn.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o indexn.o _indexn.f ** indexn === End of Compilation 1 === 1501-510 Compilation successful for file _indexn.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 kmat.f > _kmat.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o kmat.o _kmat.f ** kmat === End of Compilation 1 === 1501-510 Compilation successful for file _kmat.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 pearsn.f > _pearsn.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o pearsn.o _pearsn.f ** pearsn === End of Compilation 1 === ** erfcc === End of Compilation 2 === 1501-510 Compilation successful for file _pearsn.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 plane.f > _plane.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o plane.o _plane.f ** plane === End of Compilation 1 === 1501-510 Compilation successful for file _plane.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 remarc.f > _remarc.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o remarc.o _remarc.f ** remarc === End of Compilation 1 === ** remhet === End of Compilation 2 === ** amatg === End of Compilation 3 === "_remarc.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _remarc.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrcal.f > _nmrcal.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrcal.o _nmrcal.f ** nmrcal === End of Compilation 1 === 1501-510 Compilation successful for file _nmrcal.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrred.f > _nmrred.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrred.o _nmrred.f ** nmrred === End of Compilation 1 === 1501-510 Compilation successful for file _nmrred.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 restal.f > _restal.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o restal.o _restal.f ** restal === End of Compilation 1 === 1501-510 Compilation successful for file _restal.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 getnat.f > _getnat.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o getnat.o _getnat.f ** getnat === End of Compilation 1 === 1501-510 Compilation successful for file _getnat.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrnrg.f > _nmrnrg.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrnrg.o _nmrnrg.f ** nmrnrg === End of Compilation 1 === 1501-510 Compilation successful for file _nmrnrg.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 modwt.f > _modwt.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o modwt.o _modwt.f ** modwt === End of Compilation 1 === 1501-510 Compilation successful for file _modwt.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 disnrg.f > _disnrg.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o disnrg.o _disnrg.f ** disnrg === End of Compilation 1 === 1501-510 Compilation successful for file _disnrg.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 angnrg.f > _angnrg.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o angnrg.o _angnrg.f ** angnrg === End of Compilation 1 === 1501-510 Compilation successful for file _angnrg.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 tornrg.f > _tornrg.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o tornrg.o _tornrg.f ** tornrg === End of Compilation 1 === 1501-510 Compilation successful for file _tornrg.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrprt.f > _nmrprt.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrprt.o _nmrprt.f ** nmrprt === End of Compilation 1 === 1501-510 Compilation successful for file _nmrprt.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrgrp.f > _nmrgrp.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrgrp.o _nmrgrp.f ** nmrgrp === End of Compilation 1 === 1501-510 Compilation successful for file _nmrgrp.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrcms.f > _nmrcms.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrcms.o _nmrcms.f ** nmrcms === End of Compilation 1 === 1501-510 Compilation successful for file _nmrcms.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrcmf.f > _nmrcmf.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrcmf.o _nmrcmf.f ** nmrcmf === End of Compilation 1 === 1501-510 Compilation successful for file _nmrcmf.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 impnum.f > _impnum.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o impnum.o _impnum.f ** impnum === End of Compilation 1 === 1501-510 Compilation successful for file _impnum.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrsht.f > _nmrsht.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrsht.o _nmrsht.f ** nmrsht === End of Compilation 1 === 1501-510 Compilation successful for file _nmrsht.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 at2res.f > _at2res.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o at2res.o _at2res.f ** at2res === End of Compilation 1 === 1501-510 Compilation successful for file _at2res.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 chklin.f > _chklin.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o chklin.o _chklin.f ** chklin === End of Compilation 1 === 1501-510 Compilation successful for file _chklin.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 opnmrg.f > _opnmrg.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o opnmrg.o _opnmrg.f ** opnmrg === End of Compilation 1 === 1501-510 Compilation successful for file _opnmrg.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 printe.f > _printe.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o printe.o _printe.f ** report_min_results === End of Compilation 1 === ** report_min_progress === End of Compilation 2 === ** grdmax === End of Compilation 3 === ** printe === End of Compilation 4 === 1501-510 Compilation successful for file _printe.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 runmin.f > _runmin.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o runmin.o _runmin.f ** runmin === End of Compilation 1 === 1501-510 Compilation successful for file _runmin.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ndvprt.f > _ndvprt.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o ndvprt.o _ndvprt.f ** ndvprt === End of Compilation 1 === 1501-510 Compilation successful for file _ndvprt.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 force.f > _force.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o force.o _force.f ** force === End of Compilation 1 === ** dumpfrcgrid === End of Compilation 2 === "_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _force.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 rdparm.f > _rdparm.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o rdparm.o _rdparm.f ** rdparm1 === End of Compilation 1 === ** rdparm2 === End of Compilation 2 === ** istuff === End of Compilation 3 === 1501-510 Compilation successful for file _rdparm.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 mdread.f > _mdread.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o mdread.o _mdread.f ** mdread1 === End of Compilation 1 === ** cnstphread === End of Compilation 2 === ** mdread2 === End of Compilation 3 === ** printflags === End of Compilation 4 === ** printflags2 === End of Compilation 5 === ** float_legal_range === End of Compilation 6 === ** int_legal_range === End of Compilation 7 === ** opt_legal_range === End of Compilation 8 === ** sander_bomb === End of Compilation 9 === 1501-510 Compilation successful for file _mdread.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 locmem.f > _locmem.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o locmem.o _locmem.f ** locmem === End of Compilation 1 === ** adj_mem_ptr === End of Compilation 2 === 1501-510 Compilation successful for file _locmem.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 runmd.f > _runmd.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o runmd.o _runmd.f ** runmd === End of Compilation 1 === ** dumplist === End of Compilation 2 === "_runmd.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _runmd.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 getcor.f > _getcor.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o getcor.o _getcor.f ** getcor === End of Compilation 1 === 1501-510 Compilation successful for file _getcor.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 r6ave.f > _r6ave.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o r6ave.o _r6ave.f ** r6ave === End of Compilation 1 === 1501-510 Compilation successful for file _r6ave.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 r6drv.f > _r6drv.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o r6drv.o _r6drv.f ** r6drv === End of Compilation 1 === 1501-510 Compilation successful for file _r6drv.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 aveint.f > _aveint.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o aveint.o _aveint.f ** aveint === End of Compilation 1 === 1501-510 Compilation successful for file _aveint.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 degcnt.f > _degcnt.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o degcnt.o _degcnt.f ** degcnt === End of Compilation 1 === 1501-510 Compilation successful for file _degcnt.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 corf.f > _corf.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o corf.o _corf.f ** corf === End of Compilation 1 === 1501-510 Compilation successful for file _corf.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 threeb.f > _threeb.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o threeb.o _threeb.f ** threeb === End of Compilation 1 === "_threeb.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _threeb.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 tripl.f > _tripl.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o tripl.o _tripl.f ** tripl === End of Compilation 1 === 1501-510 Compilation successful for file _tripl.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmrrad.f > _nmrrad.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmrrad.o _nmrrad.f ** nmrrad === End of Compilation 1 === 1501-510 Compilation successful for file _nmrrad.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 decnvh.f > _decnvh.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o decnvh.o _decnvh.f ** decnvh === End of Compilation 1 === 1501-510 Compilation successful for file _decnvh.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 echoin.f > _echoin.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o echoin.o _echoin.f ** echoin === End of Compilation 1 === 1501-510 Compilation successful for file _echoin.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 parallel.f > _parallel.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o parallel.o _parallel.f ** startup === End of Compilation 1 === ** fdist === End of Compilation 2 === ** fsum === End of Compilation 3 === ** xdist === End of Compilation 4 === ** fgblsum === End of Compilation 5 === ** setb === End of Compilation 6 === ** getb === End of Compilation 7 === 1501-510 Compilation successful for file _parallel.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 jnrg.f > _jnrg.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o jnrg.o _jnrg.f ** jnrg === End of Compilation 1 === 1501-510 Compilation successful for file _jnrg.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 shake.f > _shake.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o shake.o _shake.f ** shake === End of Compilation 1 === "_shake.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _shake.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ene.f > _ene.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ene.o _ene.f ** bond === End of Compilation 1 === ** bondcp === End of Compilation 2 === ** angl === End of Compilation 3 === ** ephi === End of Compilation 4 === ** capwat === End of Compilation 5 === ** xconst === End of Compilation 6 === ** xtgtmd === End of Compilation 7 === ** rmsfit === End of Compilation 8 === ** bellyf === End of Compilation 9 === "_ene.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ene.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ene.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ene.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ene.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ene.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ene.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ene.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ene.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 mdwrit.f > _mdwrit.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o mdwrit.o _mdwrit.f ** mdwrit === End of Compilation 1 === ** mdwri2 === End of Compilation 2 === 1501-510 Compilation successful for file _mdwrit.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 minrit.f > _minrit.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o minrit.o _minrit.f ** minrit === End of Compilation 1 === 1501-510 Compilation successful for file _minrit.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 set.f > _set.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o set.o _set.f ** setatm === End of Compilation 1 === ** setbon === End of Compilation 2 === ** setang === End of Compilation 3 === ** setdih === End of Compilation 4 === ** rdrest === End of Compilation 5 === ** dihdup === End of Compilation 6 === ** dihpar === End of Compilation 7 === ** setgms === End of Compilation 8 === "_set.f", line 1217.21: 1512-050 (W) Field separator is missing, in literal FMT specifier, after edit descriptor H. A comma is assumed. ** setpar === End of Compilation 9 === 1501-510 Compilation successful for file _set.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 setmm.f > _setmm.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o setmm.o _setmm.f ** setvar === End of Compilation 1 === 1501-510 Compilation successful for file _setmm.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 dynlib.f > _dynlib.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o dynlib.o _dynlib.f ** corpac === End of Compilation 1 === ** ekcmr === End of Compilation 2 === ** open_dump_files === End of Compilation 3 === ** close_dump_files === End of Compilation 4 === ** prntmd === End of Compilation 5 === ** setvel === End of Compilation 6 === ** mdeng === End of Compilation 7 === ** mden2 === End of Compilation 8 === ** cenmas === End of Compilation 9 === ** stopcm === End of Compilation 10 === 1501-510 Compilation successful for file _dynlib.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 mdfil.f > _mdfil.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o mdfil.o _mdfil.f ** mdfil === End of Compilation 1 === ** iargc_wrap === End of Compilation 2 === ** getarg_wrap === End of Compilation 3 === 1501-510 Compilation successful for file _mdfil.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 nmlsrc.f > _nmlsrc.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o nmlsrc.o _nmlsrc.f ** nmlsrc === End of Compilation 1 === 1501-510 Compilation successful for file _nmlsrc.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_force.f > _ew_force.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_force.o _ew_force.f ** ewald_force === End of Compilation 1 === ** putm_back === End of Compilation 2 === ** force_info === End of Compilation 3 === ** get_nonbond_virial === End of Compilation 4 === ** map_coords === End of Compilation 5 === ** nb_adjust === End of Compilation 6 === ** nb_adjust_dipole === End of Compilation 7 === ** self === End of Compilation 8 === ** self_dipole === End of Compilation 9 === ** dip_field_corr === End of Compilation 10 === ** respa_scale === End of Compilation 11 === "_ew_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_force.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_force.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_setup.f > _ew_setup.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_setup.o _ew_setup.f ** assign_ind === End of Compilation 1 === ** check_neutral === End of Compilation 2 === ** init_coulomb_switch === End of Compilation 3 === ** test_prime_factors === End of Compilation 4 === ** check_prime_factors === End of Compilation 5 === ** compute_nfft === End of Compilation 6 === ** cubspl === End of Compilation 7 === ** eed_table_mem === End of Compilation 8 === ** ewald_mem === End of Compilation 9 === ** ew_startup === End of Compilation 10 === ** fill_tranvec === End of Compilation 11 === ** fill_xtran === End of Compilation 12 === ** fill_eed_table === End of Compilation 13 === ** find_ewaldcof === End of Compilation 14 === ** load_adj_mask === End of Compilation 15 === ** load_ewald_info === End of Compilation 16 === ** load_list_mask === End of Compilation 17 === ** loc_nb_mem === End of Compilation 18 === ** print_sz === End of Compilation 19 === ** local_nb_get_sizes === End of Compilation 20 === ** mpole_mem === End of Compilation 21 === ** pme_mem === End of Compilation 22 === ** pmesh_kspace_get_sizes === End of Compilation 23 === ** pmesh_kspace_setup === End of Compilation 24 === ** peek_ewald_inpcrd === End of Compilation 25 === ** read_ewald === End of Compilation 26 === ** setup_grids === End of Compilation 27 === ** vdw_correct_setup === End of Compilation 28 === ** vdw_correction === End of Compilation 29 === ** zero_array === End of Compilation 30 === ** array_copy === End of Compilation 31 === ** startup_groups === End of Compilation 32 === "_ew_setup.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_setup.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_setup.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_setup.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_setup.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_box.f > _ew_box.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_box.o _ew_box.f ** adjust_imagcrds === End of Compilation 1 === ** ew_pscale === End of Compilation 2 === ** get_current_volume === End of Compilation 3 === ** dot === End of Compilation 4 === ** cross === End of Compilation 5 === ** fill_ucell === End of Compilation 6 === ** get_ucell === End of Compilation 7 === ** new_ucell_gen === End of Compilation 8 === ** redo_ucell === End of Compilation 9 === ** update_ucell_iso === End of Compilation 10 === ** wrap_molecules === End of Compilation 11 === ** wrap_to === End of Compilation 12 === ** get_position === End of Compilation 13 === ** re_position === End of Compilation 14 === ** nonper_box === End of Compilation 15 === ** firstbox === End of Compilation 16 === "_ew_box.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_box.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_box.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_box.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_box.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_box.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_box.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_box.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_box.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_bspline.f > _ew_bspline.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_bspline.o _ew_bspline.f ** get_grid_weights === End of Compilation 1 === ** fill_bspline_0 === End of Compilation 2 === ** fill_bspline_1 === End of Compilation 3 === ** fill_bspline_2 === End of Compilation 4 === ** diff_bspline === End of Compilation 5 === ** one_pass_bspline === End of Compilation 6 === ** load_prefacs === End of Compilation 7 === ** dftmod === End of Compilation 8 === ** factor_lambda === End of Compilation 9 === ** get_tarray === End of Compilation 10 === ** recur === End of Compilation 11 === ** recurstep === End of Compilation 12 === ** test_diff === End of Compilation 13 === ** gamma_sum === End of Compilation 14 === "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_bspline.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_bspline.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_fft.f > _ew_fft.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_fft.o _ew_fft.f ** get_fftdims === End of Compilation 1 === ** fft_backrc === End of Compilation 2 === ** fft_forwardrc === End of Compilation 3 === ** fft_setup === End of Compilation 4 === ** par_fft_setup === End of Compilation 5 === ** xy_zx_transpose === End of Compilation 6 === ** xy_zx_trans_recv === End of Compilation 7 === ** zx_xy_transpose === End of Compilation 8 === ** zx_trans_recv === End of Compilation 9 === ** fft2d === End of Compilation 10 === ** fft3d0rc === End of Compilation 11 === ** fft3d_zxyrc === End of Compilation 12 === ** fft2drc === End of Compilation 13 === ** dumpq === End of Compilation 14 === ** dumpqrc === End of Compilation 15 === ** cfftb === End of Compilation 16 === ** cfftb1 === End of Compilation 17 === ** cfftf === End of Compilation 18 === ** cfftf1 === End of Compilation 19 === ** cffti === End of Compilation 20 === ** cffti1 === End of Compilation 21 === ** passb === End of Compilation 22 === ** passb2 === End of Compilation 23 === ** passb3 === End of Compilation 24 === ** passb4 === End of Compilation 25 === ** passb5 === End of Compilation 26 === ** passf === End of Compilation 27 === ** passf2 === End of Compilation 28 === ** passf3 === End of Compilation 29 === ** passf4 === End of Compilation 30 === ** passf5 === End of Compilation 31 === "_ew_fft.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_fft.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_fft.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_fft.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_fft.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_fft.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_fft.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_direct.f > _ew_direct.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_direct.o _ew_direct.f ** check_skin === End of Compilation 1 === ** nonbond_list === End of Compilation 2 === ** get_ee_func === End of Compilation 3 === ** get_nb_energy === End of Compilation 4 === ** get_nb_list === End of Compilation 5 === ** grid_image === End of Compilation 6 === ** grid_pointers === End of Compilation 7 === ** grid_ucell === End of Compilation 8 === ** pack_nb_list === End of Compilation 9 === ** pack_nb_nogrdptrs === End of Compilation 10 === ** save_crds === End of Compilation 11 === ** save_frac_crds === End of Compilation 12 === ** short_ene === End of Compilation 13 === ** short_ene_dip === End of Compilation 14 === ** fix_grid_balance === End of Compilation 15 === "_ew_direct.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_direct.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_direct.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_direct.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_direct.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_recip.f > _ew_recip.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_recip.o _ew_recip.f ** do_pmesh_kspace === End of Compilation 1 === ** fill_charge_grid === End of Compilation 2 === ** grad_sumrc === End of Compilation 3 === ** scalar_sumrc === End of Compilation 4 === ** scalar_sumrc_orthog === End of Compilation 5 === "_ew_recip.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_recip.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_recip.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_recip.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 pcshift.f > _pcshift.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o pcshift.o _pcshift.f ** pcshift === End of Compilation 1 === ** calcresid === End of Compilation 2 === ** ptrir === End of Compilation 3 === ** derivshift === End of Compilation 4 === ** dispshift === End of Compilation 5 === "_pcshift.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_pcshift.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_pcshift.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_pcshift.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _pcshift.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 align.f > _align.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o align.o _align.f ** align1 === End of Compilation 1 === ** alignread === End of Compilation 2 === 1501-510 Compilation successful for file _align.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 rstack.f > _rstack.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o rstack.o _rstack.f ** get_stack === End of Compilation 1 === ** free_stack === End of Compilation 2 === ** rstack_setup === End of Compilation 3 === 1501-510 Compilation successful for file _rstack.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 istack.f > _istack.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o istack.o _istack.f ** get_istack === End of Compilation 1 === ** free_istack === End of Compilation 2 === ** istack_setup === End of Compilation 3 === 1501-510 Compilation successful for file _istack.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 rfree.f > _rfree.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o rfree.o _rfree.f ** rfree === End of Compilation 1 === ** ch2int === End of Compilation 2 === 1501-510 Compilation successful for file _rfree.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 rgroup.f > _rgroup.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o rgroup.o _rgroup.f ** rgroup === End of Compilation 1 === ** findp === End of Compilation 2 === ** findrs === End of Compilation 3 === 1501-510 Compilation successful for file _rgroup.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 random.f > _random.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o random.o _random.f ** raset === End of Compilation 1 === ** amrset === End of Compilation 2 === ** amrset_gen === End of Compilation 3 === ** amrand === End of Compilation 4 === ** amrand_gen === End of Compilation 5 === ** gauss === End of Compilation 6 === ** gauss_gen === End of Compilation 7 === 1501-510 Compilation successful for file _random.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 lsqfit.f > _lsqfit.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o lsqfit.o _lsqfit.f ** lsqfit === End of Compilation 1 === 1501-510 Compilation successful for file _lsqfit.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 amopen.f > _amopen.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o amopen.o _amopen.f ** amopen === End of Compilation 1 === 1501-510 Compilation successful for file _amopen.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 debug.f > _debug.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o debug.o _debug.f ** debug_mem === End of Compilation 1 === ** load_debug === End of Compilation 2 === ** debug_frc === End of Compilation 3 === ** crd_mod === End of Compilation 4 === ** crd_rst === End of Compilation 5 === ** get_analfrc === End of Compilation 6 === ** fix_xr === End of Compilation 7 === ** get_numfrc === End of Compilation 8 === ** rmsdiff === End of Compilation 9 === ** rms_check === End of Compilation 10 === ** compare === End of Compilation 11 === ** compare_vir === End of Compilation 12 === ** force_dump === End of Compilation 13 === ** merge_forces === End of Compilation 14 === ** check_virial === End of Compilation 15 === ** check_vtens === End of Compilation 16 === ** get_intvir === End of Compilation 17 === ** frc_compare === End of Compilation 18 === ** do_percentiles === End of Compilation 19 === ** save_flow === End of Compilation 20 === ** restore_flow === End of Compilation 21 === ** zero_flow === End of Compilation 22 === ** dump_flow === End of Compilation 23 === "_debug.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_debug.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_debug.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_debug.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_debug.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_debug.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _debug.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_recip_reg.f > _ew_recip_reg.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_recip_reg.o _ew_recip_reg.f ** recip_reg === End of Compilation 1 === ** do_recip_reg === End of Compilation 2 === ** recip_reg_dipole === End of Compilation 3 === ** do_recip_reg_dipole === End of Compilation 4 === ** maxexp_from_mlim === End of Compilation 5 === ** find_maxexp === End of Compilation 6 === ** get_mlim === End of Compilation 7 === "_ew_recip_reg.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_recip_reg.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_recip_reg.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_recip_reg.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_recip_reg.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_handle_dips.f > _ew_handle_dips.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_handle_dips.o _ew_handle_dips.f ** handle_induced === End of Compilation 1 === ** dip_init === End of Compilation 2 === ** dip_iter === End of Compilation 3 === ** dip_fin === End of Compilation 4 === ** get_dipinfo === End of Compilation 5 === ** dipole_stat === End of Compilation 6 === ** get_torque === End of Compilation 7 === ** add_induced === End of Compilation 8 === ** cp_dips === End of Compilation 9 === ** do_cp_dip === End of Compilation 10 === ** get_dips === End of Compilation 11 === ** wrt_dips === End of Compilation 12 === "_ew_handle_dips.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_handle_dips.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_ew_handle_dips.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_handle_dips.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 ew_dipole_recip.f > _ew_dipole_recip.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_dipole_recip.o _ew_dipole_recip.f ** do_pmesh_dipole_kspace === End of Compilation 1 === ** fill_dipole_grid === End of Compilation 2 === ** grad_sum_dipolerc === End of Compilation 3 === ** scalar_sum_dipolerc === End of Compilation 4 === "_ew_dipole_recip.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _ew_dipole_recip.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 mexit.f > _mexit.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o mexit.o _mexit.f ** mexit === End of Compilation 1 === 1501-510 Compilation successful for file _mexit.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 new_time.f > _new_time.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o new_time.o _new_time.f ** fill_timer_array === End of Compilation 1 === ** init_timers === End of Compilation 2 === ** add_timer === End of Compilation 3 === ** timer_barrier === End of Compilation 4 === ** timer_start === End of Compilation 5 === ** timer_stop === End of Compilation 6 === ** timer_stop_start === End of Compilation 7 === ** get_level === End of Compilation 8 === ** build_lists === End of Compilation 9 === ** finish_timers === End of Compilation 10 === ** write_timers === End of Compilation 11 === ** write_timerstats === End of Compilation 12 === ** profile_time === End of Compilation 13 === "_new_time.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _new_time.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 extra_pts.f > _extra_pts.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o extra_pts.o _extra_pts.f ** init_extra_pts1 === End of Compilation 1 === ** init_extra_pts === End of Compilation 2 === ** get_nghbrs === End of Compilation 3 === ** define_frames === End of Compilation 4 === ** local_to_global === End of Compilation 5 === ** do_local_global === End of Compilation 6 === ** orient_frc === End of Compilation 7 === ** do_orient_frc === End of Compilation 8 === ** fill_bonded === End of Compilation 9 === ** do_pairs === End of Compilation 10 === ** sort_pairs === End of Compilation 11 === ** redo_masked === End of Compilation 12 === ** add_one_list_iblo === End of Compilation 13 === ** add_one_list_inb === End of Compilation 14 === ** build_14nb === End of Compilation 15 === ** do_14pairs === End of Compilation 16 === ** get_14_cg === End of Compilation 17 === ** do_14_cg === End of Compilation 18 === ** get_14_dipole === End of Compilation 19 === ** do_14_dipole === End of Compilation 20 === ** fix_masses === End of Compilation 21 === ** trim_bonds === End of Compilation 22 === ** trim_theta === End of Compilation 23 === ** trim_phi === End of Compilation 24 === ** fix_degree_count === End of Compilation 25 === ** allocate_14nb === End of Compilation 26 === ** copy_14nb === End of Compilation 27 === ** allocate_frames === End of Compilation 28 === "_extra_pts.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_extra_pts.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_extra_pts.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_extra_pts.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_extra_pts.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_extra_pts.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _extra_pts.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 thermo_int.f > _thermo_int.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o thermo_int.o _thermo_int.f ** swap_parms === End of Compilation 1 === ** copy_frcti === End of Compilation 2 === ** mix_frcti === End of Compilation 3 === 1501-510 Compilation successful for file _thermo_int.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 matinv.f > _matinv.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o matinv.o _matinv.f ** matinv === End of Compilation 1 === 1501-510 Compilation successful for file _matinv.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 assert.f > _assert.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o assert.o _assert.f ** aass === End of Compilation 1 === 1501-510 Compilation successful for file _assert.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 mmtsb.f > _mmtsb.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o mmtsb.o _mmtsb.f ** mmtsb_init === End of Compilation 1 === ** mmtsb_print_banner === End of Compilation 2 === 1501-510 Compilation successful for file _mmtsb.f. xlc -c -O2 -Ddspev=dspev_ -DCLINK_PLAIN -o mmtsb_client.o mmtsb_client.c "mmtsb_client.c", line 379.7: 1506-356 (W) Compilation unit is empty. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 erfcfun.f > _erfcfun.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o erfcfun.o _erfcfun.f ** erfcfun === End of Compilation 1 === "_erfcfun.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _erfcfun.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 veclib.f > _veclib.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o veclib.o _veclib.f ** vdexp === End of Compilation 1 === ** vdln === End of Compilation 2 === ** vdinvsqrt === End of Compilation 3 === ** vdinv === End of Compilation 4 === 1501-510 Compilation successful for file _veclib.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 mdm.f > _mdm.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o mdm.o _mdm.f ** mdm_dummy_to_avoid_empty_file === End of Compilation 1 === 1501-510 Compilation successful for file _mdm.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 pb_init.f > _pb_init.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o pb_init.o _pb_init.f ** pb_read === End of Compilation 1 === ** pb_print === End of Compilation 2 === ** pb_init === End of Compilation 3 === ** blkgreen === End of Compilation 4 === "_pb_init.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. "_pb_init.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _pb_init.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 constantph.f > _constantph.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o constantph.o _constantph.f ** cnstphbeginstep === End of Compilation 1 === ** cnstphendstep === End of Compilation 2 === ** cnstphwriterestart === End of Compilation 3 === ** cnstphwrite === End of Compilation 4 === "_constantph.f", 1500-036 (I) The NOSTRICT option (default at OPT(3)) has the potential to alter the semantics of a program. Please refer to documentation on the STRICT/NOSTRICT option for more information. 1501-510 Compilation successful for file _constantph.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/lam/include -P -I/Users/sxzheng/amber8/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 prn_dipoles.f > _prn_dipoles.f xlf90 -c -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfixed -c -qfree=f90 -o prn_dipoles.o _prn_dipoles.f ** printdip === End of Compilation 1 === ** calc_grp_centre_of_mass === End of Compilation 2 === 1501-510 Compilation successful for file _prn_dipoles.f. cd ../lib; make sys.a make[1]: `sys.a' is up to date. cd ../lib; make nxtsec.o make[1]: `nxtsec.o' is up to date. cd ../lapack; make Makefile:7: warning: overriding commands for target `.f.o' ../config.h:79: warning: ignoring old commands for target `.f.o' ar rvs lapack.a xerbla.o r - xerbla.o ranlib lapack.a cd ../blas; make Makefile:7: warning: overriding commands for target `.f.o' ../config.h:79: warning: ignoring old commands for target `.f.o' ar rvs blas.a dummy.o r - dummy.o ranlib blas.a cd ../lmod; make cd xmin; make Makefile:6: warning: overriding commands for target `.f.o' ../../config.h:79: warning: ignoring old commands for target `.f.o' make[2]: Nothing to be done for `install'. cd nvib; make Makefile:6: warning: overriding commands for target `.f.o' ../../config.h:79: warning: ignoring old commands for target `.f.o' make[2]: Nothing to be done for `install'. cd lmod; make Makefile:6: warning: overriding commands for target `.f.o' ../../config.h:79: warning: ignoring old commands for target `.f.o' make[2]: Nothing to be done for `install'. ar rvs lmod.a xmin/*.o nvib/*.o lmod/*.o r - xmin/xmin.o r - nvib/nvib.o r - lmod/lmod.o ranlib lmod.a xlf90 -qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr:mpi_allreduce:mpi_barrier:mpi_bcast:mpi_comm_free:mpi_comm_rank:mpi_comm_size:mpi_comm_split:mpi_init:mpi_reduce:mpi_sendrecv:mpi_isend:mpi_recv:mpi_wait:mpi_abort:mpi_finalize:mpi_send -qfree=f90 -o sander trace.o lmod.o decomp.o icosasurf.o egb.o findmask.o pb_force.o sander.o cshf.o noecalc.o noeread.o caldis.o calrate.o dinten.o drates.o indexn.o kmat.o pearsn.o plane.o remarc.o nmrcal.o nmrred.o restal.o getnat.o nmrnrg.o modwt.o disnrg.o angnrg.o tornrg.o nmrprt.o nmrgrp.o nmrcms.o nmrcmf.o impnum.o nmrsht.o at2res.o chklin.o opnmrg.o printe.o runmin.o ndvprt.o force.o rdparm.o mdread.o locmem.o runmd.o getcor.o r6ave.o r6drv.o aveint.o degcnt.o corf.o threeb.o tripl.o nmrrad.o decnvh.o fastwt.o echoin.o parallel.o jnrg.o shake.o ene.o mdwrit.o minrit.o set.o setmm.o dynlib.o mdfil.o nmlsrc.o ew_force.o ew_setup.o ew_box.o ew_bspline.o ew_fft.o ew_direct.o ew_recip.o pcshift.o align.o rstack.o istack.o rfree.o rgroup.o random.o lsqfit.o amopen.o debug.o ew_recip_reg.o ew_handle_dips.o ew_dipole_recip.o mexit.o new_time.o extra_pts.o thermo_int.o matinv.o assert.o mmtsb.o mmtsb_client.o erfcfun.o veclib.o mdm.o pb_init.o constantph.o prn_dipoles.o \ ../lmod/lmod.a -L/usr/local/lam/lib -llammpio -llamf77mpi -lmpi -llam -Wl,-framework -Wl,Accelerate \ ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a /usr/bin/ld: warning multiple definitions of symbol _second ../lib/sys.a(sys.o) definition of _second in section (__TEXT,__text) /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib(single module) definition of _second /usr/bin/ld: Undefined symbols: _mpi_allreduce _mpi_barrier_ _mpi_bcast_ _mpi_comm_free_ _mpi_comm_rank_ _mpi_comm_size_ _mpi_comm_split_ _mpi_init_ _mpi_bcast _mpi_allreduce_ _mpi_reduce_ _mpi_sendrecv_ _mpi_barrier _mpi_comm_rank _mpi_comm_size _mpi_isend _mpi_recv _mpi_wait _mpi_reduce _mpi_abort_ _mpi_finalize_ _mpi_send make: *** [sander] Error 1