Starting installation of Amber9 (parallel) at Sat Apr 29 13:28:30 EDT 2006. cd sander; make parallel ./checkparconf /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_vars.f > _evb_vars.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_vars.o _evb_vars.f ** evb_nml === End of Compilation 1 === ** evb_amber === End of Compilation 2 === ** evb_parm === End of Compilation 3 === ** evb_xchff === End of Compilation 4 === ** evb_xdat === End of Compilation 5 === ** evb_mv === End of Compilation 6 === ** evb_data === End of Compilation 7 === "_evb_vars.f", line 496.36: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. "_evb_vars.f", line 496.63: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. ** evb_check === End of Compilation 8 === ** evb_math === End of Compilation 9 === 1501-510 Compilation successful for file _evb_vars.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_input.f > _evb_input.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_input.o _evb_input.f ** evb_input === End of Compilation 1 === ** evb_input_alloc === End of Compilation 2 === ** evb_input_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _evb_input.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_init.f > _evb_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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_init.o _evb_init.f ** evb_init === End of Compilation 1 === ** evb_init_alloc === End of Compilation 2 === ** evb_init_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _evb_init.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_alloc.f > _evb_alloc.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_alloc.o _evb_alloc.f ** evb_alloc === End of Compilation 1 === 1501-510 Compilation successful for file _evb_alloc.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_dealloc.f > _evb_dealloc.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_dealloc.o _evb_dealloc.f ** evb_dealloc === End of Compilation 1 === 1501-510 Compilation successful for file _evb_dealloc.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND check_input.f > _check_input.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o check_input.o _check_input.f ** check_input === End of Compilation 1 === 1501-510 Compilation successful for file _check_input.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_io.f > _evb_io.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_io.o _evb_io.f ** evb_io === End of Compilation 1 === ** evb_io_alloc === End of Compilation 2 === ** evb_io_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _evb_io.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_keywrd.f > _evb_keywrd.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_keywrd.o _evb_keywrd.f ** evb_keywrd === End of Compilation 1 === 1501-510 Compilation successful for file _evb_keywrd.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND exchange_CM.f > _exchange_CM.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o exchange_CM.o _exchange_CM.f "_exchange_CM.f", line 74.57: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. ** exchange_cm === End of Compilation 1 === ** xch_mv_type_alloc === End of Compilation 2 === ** xch_mv_type_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _exchange_CM.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_mcp.f > _evb_mcp.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o evb_mcp.o _evb_mcp.f ** evb_mcp === End of Compilation 1 === ** mcp_mv_type_alloc === End of Compilation 2 === ** mcp_mv_type_dealloc === End of Compilation 3 === "_evb_mcp.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 _evb_mcp.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_force.f > _evb_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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o evb_force.o _evb_force.f ** evb_force === End of Compilation 1 === ** evb_frc_type_alloc === End of Compilation 2 === ** evb_frc_type_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _evb_force.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND diabatic.f > _diabatic.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o diabatic.o _diabatic.f ** diabatic === End of Compilation 1 === ** dia_mv_type_alloc === End of Compilation 2 === ** dia_mv_type_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _diabatic.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_2stdebug.f > _evb_2stdebug.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_2stdebug.o _evb_2stdebug.f ** evb_2stdebug === End of Compilation 1 === 1501-510 Compilation successful for file _evb_2stdebug.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND egap_umb_2stdebug.f > _egap_umb_2stdebug.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o egap_umb_2stdebug.o _egap_umb_2stdebug.f ** egap_umb_2stdebug === End of Compilation 1 === 1501-510 Compilation successful for file _egap_umb_2stdebug.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND exchange_gauss.f > _exchange_gauss.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o exchange_gauss.o _exchange_gauss.f "_exchange_gauss.f", line 63.36: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. "_exchange_gauss.f", line 63.42: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. ** exchange_gauss === End of Compilation 1 === ** xch_gauss_type_alloc === End of Compilation 2 === ** xch_gauss_type_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _exchange_gauss.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND exchange_warshel.f > _exchange_warshel.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o exchange_warshel.o _exchange_warshel.f "_exchange_warshel.f", line 64.36: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. "_exchange_warshel.f", line 64.42: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. ** exchange_warshel === End of Compilation 1 === ** xch_warshel_type_alloc === End of Compilation 2 === ** xch_warshel_type_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _exchange_warshel.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND parms.f > _parms.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o parms.o _parms.f ** parms === End of Compilation 1 === 1501-510 Compilation successful for file _parms.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND morsify.f > _morsify.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o morsify.o _morsify.f "_morsify.f", line 69.36: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. "_morsify.f", line 69.42: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. ** morsify === End of Compilation 1 === ** morsify_init === End of Compilation 2 === 1501-510 Compilation successful for file _morsify.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND morse_anal2num.f > _morse_anal2num.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o morse_anal2num.o _morse_anal2num.f ** morse_anal2num === End of Compilation 1 === "_morse_anal2num.f", line 208.36: 1514-129 (E) Previous specified type does not agree with the actual type of the INTRINSIC function. Type is ignored. ** vmorse === End of Compilation 2 === 1501-510 Compilation successful for file _morse_anal2num.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_pimd_init.f > _evb_pimd_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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_pimd_init.o _evb_pimd_init.f ** evb_pimd === End of Compilation 1 === 1501-510 Compilation successful for file _evb_pimd_init.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_matrix.f > _evb_matrix.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o evb_matrix.o _evb_matrix.f ** evb_matrix === End of Compilation 1 === ** evb_mat_type_alloc === End of Compilation 2 === ** evb_mat_type_dealloc === End of Compilation 3 === 1501-510 Compilation successful for file _evb_matrix.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND evb_ntrfc.f > _evb_ntrfc.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o evb_ntrfc.o _evb_ntrfc.f ** ntrfc_evb === End of Compilation 1 === 1501-510 Compilation successful for file _evb_ntrfc.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND out_evb.f > _out_evb.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o out_evb.o _out_evb.f ** out_evb === End of Compilation 1 === 1501-510 Compilation successful for file _out_evb.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND constants.f > _constants.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o constants.o _constants.f ** constants === End of Compilation 1 === 1501-510 Compilation successful for file _constants.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND stack.f > _stack.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o stack.o _stack.f ** stack === End of Compilation 1 === 1501-510 Compilation successful for file _stack.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qmmm_module.f > _qmmm_module.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qmmm_module.o _qmmm_module.f ** qmmm_module === End of Compilation 1 === 1501-510 Compilation successful for file _qmmm_module.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o decomp.o _decomp.f ** decomp === End of Compilation 1 === "_decomp.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 _decomp.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND pimd_vars.f > _pimd_vars.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o pimd_vars.o _pimd_vars.f ** pimd_vars === End of Compilation 1 === 1501-510 Compilation successful for file _pimd_vars.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND sa_driver.f > _sa_driver.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o sa_driver.o _sa_driver.f ** solvent_accessibility === End of Compilation 1 === "_sa_driver.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 _sa_driver.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND pb_exmol.f > _pb_exmol.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o pb_exmol.o _pb_exmol.f ** pb_exmol === End of Compilation 1 === "_pb_exmol.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_exmol.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND pb_mpfrc.f > _pb_mpfrc.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o pb_mpfrc.o _pb_mpfrc.f ** pb_mpfrc === End of Compilation 1 === "_pb_mpfrc.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_mpfrc.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND pb_direct.f > _pb_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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o pb_direct.o _pb_direct.f ** pb_directnocut === End of Compilation 1 === ** pb_directwtcut === End of Compilation 2 === "_pb_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. "_pb_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 _pb_direct.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND pb_list.f > _pb_list.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o pb_list.o _pb_list.f ** pb_atmpart === End of Compilation 1 === ** pb_reslist === End of Compilation 2 === ** pb_atmlist === End of Compilation 3 === ** pb_setgrd === End of Compilation 4 === "_pb_list.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_list.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_list.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_list.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND np_force.f > _np_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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o np_force.o _np_force.f ** dispersion_cavity === End of Compilation 1 === "_np_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 _np_force.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND relax_mat.f > _relax_mat.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o relax_mat.o _relax_mat.f ** relax_mat === End of Compilation 1 === "_relax_mat.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 _relax_mat.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND nmr.f > _nmr.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o nmr.o _nmr.f ** nmr === End of Compilation 1 === "_nmr.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 _nmr.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND multisander.f > _multisander.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o multisander.o _multisander.f ** multisander === End of Compilation 1 === ** subrem === End of Compilation 2 === ** templookup === End of Compilation 3 === ** sorttemp === End of Compilation 4 === ** stripwat === End of Compilation 5 === 1501-510 Compilation successful for file _multisander.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND nonbond_list.f > _nonbond_list.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o nonbond_list.o _nonbond_list.f ** nblist === End of Compilation 1 === "_nonbond_list.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 _nonbond_list.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_bspline.o _ew_bspline.f ** ew_bspline === End of Compilation 1 === "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_recip.o _ew_recip.f ** ew_recip === End of Compilation 1 === "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_mdin.f > _amoeba_mdin.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_mdin.o _amoeba_mdin.f ** amoeba_mdin === End of Compilation 1 === 1501-510 Compilation successful for file _amoeba_mdin.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_runmd.f > _amoeba_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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_runmd.o _amoeba_runmd.f ** amoeba_runmd === End of Compilation 1 === "_amoeba_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 _amoeba_runmd.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_multipoles.f > _amoeba_multipoles.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_multipoles.o _amoeba_multipoles.f "_amoeba_multipoles.f", line 304.24: 1514-038 (W) The literal string has length 24 which is longer than 1, the length of the variable being initialized. The string will be truncated. ** amoeba_multipoles === End of Compilation 1 === "_amoeba_multipoles.f", line 813.8: 1514-022 (W) Variable qind1 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. "_amoeba_multipoles.f", line 814.8: 1514-022 (W) Variable qind2 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. "_amoeba_multipoles.f", line 815.8: 1514-022 (W) Variable oind1 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. "_amoeba_multipoles.f", line 816.8: 1514-022 (W) Variable oind2 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. "_amoeba_multipoles.f", line 817.8: 1514-022 (W) Variable oind3 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. "_amoeba_multipoles.f", line 818.8: 1514-022 (W) Variable hind1 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. "_amoeba_multipoles.f", line 819.8: 1514-022 (W) Variable hind2 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. "_amoeba_multipoles.f", line 820.8: 1514-022 (W) Variable hind3 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. "_amoeba_multipoles.f", line 821.8: 1514-022 (W) Variable hind4 is in or is equivalenced to a named COMMON block. Variable must only be initialized in a BLOCK DATA subprogram. ** xform_mpole_matrix === End of Compilation 2 === ** xform_mpole_deriv_matrix === End of Compilation 3 === ** xform_mpole_field_matrix === End of Compilation 4 === ** xform_mpole === End of Compilation 5 === ** xform_field === End of Compilation 6 === "_amoeba_multipoles.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. "_amoeba_multipoles.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 _amoeba_multipoles.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_induced.f > _amoeba_induced.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_induced.o _amoeba_induced.f ** amoeba_induced === End of Compilation 1 === ** am_induced_add_cart_to_dip === End of Compilation 2 === ** am_induced_fields_to_ind_dips === End of Compilation 3 === ** am_induced_sor_update === End of Compilation 4 === ** am_induced_rms_diff === End of Compilation 5 === "_amoeba_induced.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 _amoeba_induced.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_vdw.f > _amoeba_vdw.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_vdw.o _amoeba_vdw.f ** amoeba_vdw === End of Compilation 1 === "_amoeba_vdw.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 _amoeba_vdw.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_adjust.f > _amoeba_adjust.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_adjust.o _amoeba_adjust.f ** amoeba_adjust === End of Compilation 1 === "_amoeba_adjust.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 _amoeba_adjust.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_recip.f > _amoeba_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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_recip.o _amoeba_recip.f ** amoeba_recip === End of Compilation 1 === "_amoeba_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 _amoeba_recip.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_valence.f > _amoeba_valence.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_valence.o _amoeba_valence.f ** amoeba_bonds === End of Compilation 1 === ** amoeba_ureyb === End of Compilation 2 === ** amoeba_reg_angles === End of Compilation 3 === ** amoeba_trig_angles === End of Compilation 4 === ** amoeba_opbend_angles === End of Compilation 5 === ** amoeba_torsions === End of Compilation 6 === ** amoeba_stretch_torsions === End of Compilation 7 === ** amoeba_pitorsions === End of Compilation 8 === ** amoeba_stretch_bend === End of Compilation 9 === ** amoeba_torsion_torsion === End of Compilation 10 === ** am_val_get_num_params === End of Compilation 11 === ** am_val_get_ftab_degree === End of Compilation 12 === ** am_val_read_force_constant === End of Compilation 13 === ** am_val_read_equil_value === End of Compilation 14 === ** am_val_read_periodicity === End of Compilation 15 === ** am_val_read_phase === End of Compilation 16 === ** am_val_read_ftable_coeffs === End of Compilation 17 === ** am_val_real_array_index === End of Compilation 18 === ** am_val_ftab_eval_f_df === End of Compilation 19 === ** am_val_geom_torsion === End of Compilation 20 === ** vec3d_unitperpto_unitvec === End of Compilation 21 === ** am_val_vec3d_get_perp_to_vecs === End of Compilation 22 === ** am_val_bcuint1 === End of Compilation 23 === ** am_val_bcucof === End of Compilation 24 === "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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. "_amoeba_valence.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 _amoeba_valence.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_direct.f > _amoeba_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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_direct.o _amoeba_direct.f ** amoeba_direct === End of Compilation 1 === "_amoeba_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 _amoeba_direct.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_self.f > _amoeba_self.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_self.o _amoeba_self.f ** amoeba_self === End of Compilation 1 === "_amoeba_self.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 _amoeba_self.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND amoeba_interface.f > _amoeba_interface.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o amoeba_interface.o _amoeba_interface.f ** amoeba_interface === End of Compilation 1 === ** amoeba_check_parm_legal === End of Compilation 2 === ** amoeba_check_newstyle_inpcrd === End of Compilation 3 === ** am_nonbond_perm_fields === End of Compilation 4 === ** am_nonbond_dip_dip_fields === End of Compilation 5 === ** am_nonbond_ene_frc === End of Compilation 6 === ** am_nonbond_remove_net_force === End of Compilation 7 === ** am_nonbond_set_user_bit === End of Compilation 8 === ** am_val_set_user_bit === End of Compilation 9 === ** amoeba_get_numlist === End of Compilation 10 === ** amoeba_read_list_data === End of Compilation 11 === ** amoeba_read_real_list_data === End of Compilation 12 === ** amoeba_read_real_scalar === End of Compilation 13 === ** amoeba_get_startlist_endlist === End of Compilation 14 === ** array_add === End of Compilation 15 === ** dump_dipoles === End of Compilation 16 === "_amoeba_interface.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 _amoeba_interface.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -c -qfree=f90 -o sander.o _sander.f ** sander === End of Compilation 1 === ** esp === End of Compilation 2 === 1501-510 Compilation successful for file _sander.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND trajene.f > _trajene.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o trajene.o _trajene.f ** trajene === End of Compilation 1 === 1501-510 Compilation successful for file _trajene.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o cshf.o _cshf.f ** plane === End of Compilation 1 === ** cshf === End of Compilation 2 === ** elstat === End of Compilation 3 === "_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. "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -c -qfree=f90 -o nmrcal.o _nmrcal.f ** nmrcal === End of Compilation 1 === ** restal === End of Compilation 2 === 1501-510 Compilation successful for file _nmrcal.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o runmin.o _runmin.f ** runmin === End of Compilation 1 === "_runmin.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 _runmin.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND bintraj.f > _bintraj.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o bintraj.o _bintraj.f ** bintraj === End of Compilation 1 === 1501-510 Compilation successful for file _bintraj.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o runmd.o _runmd.f ** runmd === End of Compilation 1 === ** quench === 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. "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND spatial_fft.f > _spatial_fft.f "spatial_fft.f", line 829.9: 1506-236 (W) Macro name AMBER_MPI_REAL has been redefined. "spatial_fft.f", line 829.9: 1506-358 (I) "AMBER_MPI_REAL" is defined on line 42 of dprec.h. 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o spatial_fft.o _spatial_fft.f ** fft === End of Compilation 1 === "_spatial_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 _spatial_fft.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o shake.o _shake.f ** shake === End of Compilation 1 === 1501-510 Compilation successful for file _shake.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ene.o _ene.f ** bond === End of Compilation 1 === ** angl === End of Compilation 2 === ** ephi === End of Compilation 3 === ** capwat === End of Compilation 4 === ** xconst === End of Compilation 5 === ** xtgtmd === End of Compilation 6 === ** rmsfit === End of Compilation 7 === ** bellyf === End of Compilation 8 === "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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 === ** setpar === End of Compilation 9 === ** setvar === End of Compilation 10 === ** setnoshake === End of Compilation 11 === 1501-510 Compilation successful for file _set.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -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 === "_dynlib.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. "_dynlib.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. "_dynlib.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 _dynlib.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_dipole_recip.o _ew_dipole_recip.f ** ew_dipole_recip === End of Compilation 1 === "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND spatial_dcmp.f > _spatial_dcmp.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o spatial_dcmp.o _spatial_dcmp.f ** spatial === End of Compilation 1 === "_spatial_dcmp.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 _spatial_dcmp.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND spatial_recip.f > _spatial_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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o spatial_recip.o _spatial_recip.f "_spatial_recip.f", line 120.32: 1514-038 (W) The literal string has length 23 which is longer than 15, the length of the variable being initialized. The string will be truncated. ** ew_recip_spatial === End of Compilation 1 === "_spatial_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 _spatial_recip.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_force.o _ew_force.f ** ewald_force === End of Compilation 1 === ** do_pme_recip === End of Compilation 2 === ** putm_back === End of Compilation 3 === ** force_info === End of Compilation 4 === ** get_nonbond_virial === 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. 1501-510 Compilation successful for file _ew_force.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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_eed_table === End of Compilation 11 === ** find_ewaldcof === End of Compilation 12 === ** load_adj_mask === End of Compilation 13 === ** load_ewald_info === End of Compilation 14 === ** load_list_mask === End of Compilation 15 === ** loc_nb_mem === End of Compilation 16 === ** print_sz === End of Compilation 17 === ** local_nb_get_sizes === End of Compilation 18 === ** mpole_mem === End of Compilation 19 === ** pme_mem === End of Compilation 20 === ** pmesh_kspace_get_sizes === End of Compilation 21 === ** pmesh_kspace_setup === End of Compilation 22 === ** peek_ewald_inpcrd === End of Compilation 23 === ** read_ewald === End of Compilation 24 === ** vdw_correct_setup === End of Compilation 25 === ** vdw_correction === End of Compilation 26 === ** zero_array === End of Compilation 27 === ** array_copy === End of Compilation 28 === ** startup_groups === End of Compilation 29 === "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ew_box.o _ew_box.f ** ew_pscale === End of Compilation 1 === ** dot === End of Compilation 2 === ** cross === End of Compilation 3 === ** fill_ucell === End of Compilation 4 === ** get_ucell === End of Compilation 5 === ** new_ucell_gen === End of Compilation 6 === ** redo_ucell === End of Compilation 7 === ** update_ucell_iso === End of Compilation 8 === ** wrap_molecules === End of Compilation 9 === ** wrap_to === End of Compilation 10 === ** get_position === End of Compilation 11 === ** re_position === End of Compilation 12 === ** nonper_box === End of Compilation 13 === ** firstbox === End of Compilation 14 === "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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 === ** cfftb === End of Compilation 14 === ** cfftb1 === End of Compilation 15 === ** cfftf === End of Compilation 16 === ** cfftf1 === End of Compilation 17 === ** cffti === End of Compilation 18 === ** cffti1 === End of Compilation 19 === ** passb === End of Compilation 20 === ** passb2 === End of Compilation 21 === ** passb3 === End of Compilation 22 === ** passb4 === End of Compilation 23 === ** passb5 === End of Compilation 24 === ** passf === End of Compilation 25 === ** passf2 === End of Compilation 26 === ** passf3 === End of Compilation 27 === ** passf4 === End of Compilation 28 === ** passf5 === End of Compilation 29 === "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND short_ene.f > _short_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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o short_ene.o _short_ene.f ** get_nb_energy === End of Compilation 1 === ** short_ene === End of Compilation 2 === ** short_ene_dip === End of Compilation 3 === "_short_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. "_short_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 _short_ene.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o align.o _align.f ** align1 === End of Compilation 1 === ** alignread === End of Compilation 2 === "_align.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 _align.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -c -qfree=f90 -o rgroup.o _rgroup.f ** rgroup === End of Compilation 1 === ** findrs === End of Compilation 2 === 1501-510 Compilation successful for file _rgroup.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -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 === "_random.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 _random.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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. 1501-510 Compilation successful for file _debug.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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 === ** sort_pairs === End of Compilation 10 === ** redo_masked === End of Compilation 11 === ** add_one_list_iblo === End of Compilation 12 === ** add_one_list_inb === End of Compilation 13 === ** build_14nb === End of Compilation 14 === ** get_14_cg === End of Compilation 15 === ** do_14_cg === End of Compilation 16 === ** get_14_dipole === End of Compilation 17 === ** do_14_dipole === End of Compilation 18 === ** fix_masses === End of Compilation 19 === ** trim_bonds === End of Compilation 20 === ** trim_theta === End of Compilation 21 === ** trim_phi === End of Compilation 22 === ** fix_degree_count === End of Compilation 23 === ** allocate_14nb === End of Compilation 24 === ** copy_14nb === End of Compilation 25 === ** allocate_frames === End of Compilation 26 === ** do_pairs === End of Compilation 27 === ** do_14pairs === 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. 1501-510 Compilation successful for file _extra_pts.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -c -qfree=f90 -o thermo_int.o _thermo_int.f ** mix_frcti === End of Compilation 1 === ** mix_evb === End of Compilation 2 === ** combination === End of Compilation 3 === ** factorial === End of Compilation 4 === ** func_new === End of Compilation 5 === 1501-510 Compilation successful for file _thermo_int.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -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 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O0 -Ddspev=dspev_ -DCLINK_PLAIN -I/usr/include/malloc -o mmtsb_client.o mmtsb_client.c xlc: 1501-216 command option -0 is not recognized - passed to ld /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o erfcfun.o _erfcfun.f ** erfcfun === End of Compilation 1 === ** get_ee_func === End of Compilation 2 === "_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. "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -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 === ** vdcos === End of Compilation 5 === ** vdtanh === End of Compilation 6 === 1501-510 Compilation successful for file _veclib.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND is_init.f > _is_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 -qfloat=nomaf -qfixed -c -qfree=f90 -o is_init.o _is_init.f ** pb_read === End of Compilation 1 === ** pb_print === End of Compilation 2 === ** pb_free === End of Compilation 3 === ** pb_init === End of Compilation 4 === ** blkgreen === End of Compilation 5 === 1501-510 Compilation successful for file _is_init.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o constantph.o _constantph.f ** cnstphinit === End of Compilation 1 === ** cnstphupdatepairs === End of Compilation 2 === ** cnstphbeginstep === End of Compilation 3 === ** cnstphendstep === End of Compilation 4 === ** cnstphupdatechrg === End of Compilation 5 === ** cnstphwriterestart === End of Compilation 6 === ** cnstphwrite === End of Compilation 7 === "_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/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -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. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND ips.f > _ips.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o ips.o _ips.f ** ipssys === End of Compilation 1 === ** ipsupdate === End of Compilation 2 === ** eexips === End of Compilation 3 === 1501-510 Compilation successful for file _ips.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND sglds.f > _sglds.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o sglds.o _sglds.f ** psgld === End of Compilation 1 === ** sgldw === End of Compilation 2 === ** sgmdw === End of Compilation 3 === "_sglds.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. "_sglds.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 _sglds.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_mm.f > _qm_mm.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_mm.o _qm_mm.f ** qm_mm === End of Compilation 1 === ** qm_get_boundbox === End of Compilation 2 === ** qm_check_periodic === End of Compilation 3 === ** qm_fill_qm_xcrd === End of Compilation 4 === ** qm_fill_qm_xcrd_periodic === End of Compilation 5 === "_qm_mm.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. "_qm_mm.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. "_qm_mm.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 _qm_mm.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_link_atoms.f > _qm_link_atoms.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_link_atoms.o _qm_link_atoms.f ** identify_link_atoms === End of Compilation 1 === ** position_link_atoms === End of Compilation 2 === ** distribute_lnk_f === End of Compilation 3 === ** print_link_atom_info === End of Compilation 4 === ** adj_mm_link_pair_crd === End of Compilation 5 === ** rst_mm_link_pair_crd === End of Compilation 6 === ** qmsort_link_pairs === End of Compilation 7 === 1501-510 Compilation successful for file _qm_link_atoms.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_nb_list.f > _qm_nb_list.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_nb_list.o _qm_nb_list.f ** qm_nb_list_allqm === End of Compilation 1 === 1501-510 Compilation successful for file _qm_nb_list.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_extract_coords.f > _qm_extract_coords.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_extract_coords.o _qm_extract_coords.f ** qm_extract_coords === End of Compilation 1 === 1501-510 Compilation successful for file _qm_extract_coords.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_ewald.f > _qm_ewald.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_ewald.o _qm_ewald.f ** allocate_qmewald === End of Compilation 1 === ** qm_ewald_setup === End of Compilation 2 === ** qm_ewald_calc_kvec === End of Compilation 3 === ** qm_ewald_calc_ktable === End of Compilation 4 === ** qm_ewald_mm_pot === End of Compilation 5 === ** qm_ewald_qm_pot === End of Compilation 6 === ** qm_ewald_add_fock === End of Compilation 7 === ** qm_ewald_correct_ee === End of Compilation 8 === ** qm_ewald_core === End of Compilation 9 === ** qm_ewald_get_forces === End of Compilation 10 === "_qm_ewald.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. "_qm_ewald.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. "_qm_ewald.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. "_qm_ewald.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. "_qm_ewald.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 _qm_ewald.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_gb.f > _qm_gb.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_gb.o _qm_gb.f ** allocate_qmgb === End of Compilation 1 === ** qmgb_calc_qmqm_onefij === End of Compilation 2 === ** qmgb_calc_mm_pot === End of Compilation 3 === ** qmgb_calc_qm_pot === End of Compilation 4 === ** qmgb_add_fock === End of Compilation 5 === "_qm_gb.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. "_qm_gb.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. "_qm_gb.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 _qm_gb.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_zero_charges.f > _qm_zero_charges.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_zero_charges.o _qm_zero_charges.f ** qm_zero_charges === End of Compilation 1 === ** qm_zero_mm_link_pair_main_chg === End of Compilation 2 === ** qmmm_adjust_q === End of Compilation 3 === "_qm_zero_charges.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 _qm_zero_charges.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_print_info.f > _qm_print_info.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_print_info.o _qm_print_info.f ** qm_print_coords === End of Compilation 1 === ** qm_write_pdb === End of Compilation 2 === ** qm_print_dyn_mem === End of Compilation 3 === ** qm_print_ref === End of Compilation 4 === 1501-510 Compilation successful for file _qm_print_info.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_assign_atom_types.f > _qm_assign_atom_types.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_assign_atom_types.o _qm_assign_atom_types.f ** qm_assign_atom_types === End of Compilation 1 === 1501-510 Compilation successful for file _qm_assign_atom_types.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_allocate_e_repul.f > _qm2_allocate_e_repul.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_allocate_e_repul.o _qm2_allocate_e_repul.f ** qm2_allocate_qmqm_e_repul === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_allocate_e_repul.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_calc_charges.f > _qm2_calc_charges.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_calc_charges.o _qm2_calc_charges.f ** qm2_calc_mulliken === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_calc_charges.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_calc_rij_and_eqns.f > _qm2_calc_rij_and_eqns.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_calc_rij_and_eqns.o _qm2_calc_rij_and_eqns.f ** qm2_calc_rij_and_eqns === End of Compilation 1 === ** qm2_allocate_qm2_qmqm_rij_eqns === End of Compilation 2 === ** qm2_allocate_qm2_qmmm_rij_eqns === End of Compilation 3 === 1501-510 Compilation successful for file _qm2_calc_rij_and_eqns.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dihed.f > _qm2_dihed.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dihed.o _qm2_dihed.f ** qm2_dihed === End of Compilation 1 === ** qm2_dang === End of Compilation 2 === "_qm2_dihed.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. "_qm2_dihed.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 _qm2_dihed.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_energy.f > _qm2_energy.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_energy.o _qm2_energy.f ** qm2_energy === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_energy.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_fock.f > _qm2_fock.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_fock.o _qm2_fock.f ** qm2_fock1 === End of Compilation 1 === ** qm2_fock2 === End of Compilation 2 === ** qm2_jab === End of Compilation 3 === ** qm2_kab === End of Compilation 4 === "_qm2_fock.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 _qm2_fock.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_get_qm_forces.f > _qm2_get_qm_forces.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_get_qm_forces.o _qm2_get_qm_forces.f ** qm2_get_qm_forces === End of Compilation 1 === ** qm2_deriv_qm_analyt === End of Compilation 2 === "_qm2_get_qm_forces.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 _qm2_get_qm_forces.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_get_qmmm_forces.f > _qm2_get_qmmm_forces.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_get_qmmm_forces.o _qm2_get_qmmm_forces.f ** qm2_get_qmmm_forces === End of Compilation 1 === ** qm2_deriv_qmmm_light === End of Compilation 2 === ** qm2_deriv_qmmm_heavy === End of Compilation 3 === "_qm2_get_qmmm_forces.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 _qm2_get_qmmm_forces.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_h1elec.f > _qm2_h1elec.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_h1elec.o _qm2_h1elec.f ** qm2_h1elec === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_h1elec.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_hcore_qmqm.f > _qm2_hcore_qmqm.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_hcore_qmqm.o _qm2_hcore_qmqm.f ** qm2_hcore_qmqm === End of Compilation 1 === "_qm2_hcore_qmqm.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 _qm2_hcore_qmqm.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_hcore_qmmm.f > _qm2_hcore_qmmm.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_hcore_qmmm.o _qm2_hcore_qmmm.f ** qm2_hcore_qmmm === End of Compilation 1 === ** qm2_rotate_qmmm_light === End of Compilation 2 === ** qm2_rotate_qmmm_heavy === End of Compilation 3 === "_qm2_hcore_qmmm.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. "_qm2_hcore_qmmm.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 _qm2_hcore_qmmm.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_identify_peptide_links.f > _qm2_identify_peptide_links.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_identify_peptide_links.o _qm2_identify_peptide_links.f ** qm2_identify_peptide_links === End of Compilation 1 === "_qm2_identify_peptide_links.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 _qm2_identify_peptide_links.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_load_params_and_allocate.f > _qm2_load_params_and_allocate.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o qm2_load_params_and_allocate.o _qm2_load_params_and_allocate.f "_qm2_load_params_and_allocate.f", line 3805.24: 1512-050 (W) Field separator is missing, in literal FMT specifier, after edit descriptor '. A comma is assumed. ** qm2_load_params_and_allocate === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_load_params_and_allocate.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_repp.f > _qm2_repp.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_repp.o _qm2_repp.f ** qm2_repp === End of Compilation 1 === "_qm2_repp.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 _qm2_repp.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_rotate_qmqm.f > _qm2_rotate_qmqm.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_rotate_qmqm.o _qm2_rotate_qmqm.f ** qm2_rotate_qmqm === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_rotate_qmqm.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_scf.f > _qm2_scf.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_scf.o _qm2_scf.f ** qm2_scf === End of Compilation 1 === ** qm2_densit === End of Compilation 2 === ** qm2_cnvg === End of Compilation 3 === ** qm2_mat_diag === End of Compilation 4 === ** qm2_pseudo_diag === End of Compilation 5 === ** qm2_helect === End of Compilation 6 === "_qm2_scf.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. "_qm2_scf.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. "_qm2_scf.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. "_qm2_scf.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. "_qm2_scf.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 _qm2_scf.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_setup_orb_exp.f > _qm2_setup_orb_exp.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_setup_orb_exp.o _qm2_setup_orb_exp.f ** qm2_setup_orb_exp === End of Compilation 1 === "_qm2_setup_orb_exp.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 _qm2_setup_orb_exp.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_smallest_number.f > _qm2_smallest_number.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o qm2_smallest_number.o _qm2_smallest_number.f ** qm2_smallest_number === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_smallest_number.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_module.f > _qm2_dftb_module.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o qm2_dftb_module.o _qm2_dftb_module.f ** qm2_dftb_module === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_dftb_module.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_broyden.f > _qm2_dftb_broyden.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_broyden.o _qm2_dftb_broyden.f ** broyden === End of Compilation 1 === ** inverse === End of Compilation 2 === 1501-510 Compilation successful for file _qm2_dftb_broyden.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_dispersion_egr.f > _qm2_dftb_dispersion_egr.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_dispersion_egr.o _qm2_dftb_dispersion_egr.f ** dispersion_egr === End of Compilation 1 === ** dis_e === End of Compilation 2 === ** dis_gr === End of Compilation 3 === "_qm2_dftb_dispersion_egr.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. "_qm2_dftb_dispersion_egr.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. "_qm2_dftb_dispersion_egr.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 _qm2_dftb_dispersion_egr.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_dispersion_params.f > _qm2_dftb_dispersion_params.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_dispersion_params.o _qm2_dftb_dispersion_params.f ** dispersion_params === End of Compilation 1 === "_qm2_dftb_dispersion_params.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 _qm2_dftb_dispersion_params.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_dispersionread.f > _qm2_dftb_dispersionread.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_dispersionread.o _qm2_dftb_dispersionread.f ** dispersionread === End of Compilation 1 === "_qm2_dftb_dispersionread.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 _qm2_dftb_dispersionread.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_eglcao.f > _qm2_dftb_eglcao.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_eglcao.o _qm2_dftb_eglcao.f ** eglcao === End of Compilation 1 === ** qm2_dftb_ewald_corr === End of Compilation 2 === 1501-510 Compilation successful for file _qm2_dftb_eglcao.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_energy.f > _qm2_dftb_energy.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_energy.o _qm2_dftb_energy.f ** qm2_dftb_energy === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_dftb_energy.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_ewevge.f > _qm2_dftb_ewevge.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 -qfloat=nomaf -qfixed -c -qfree=f90 -o qm2_dftb_ewevge.o _qm2_dftb_ewevge.f ** ewevge === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_dftb_ewevge.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_externalchgrad.f > _qm2_dftb_externalchgrad.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_externalchgrad.o _qm2_dftb_externalchgrad.f ** externalchgrad === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_dftb_externalchgrad.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_externalshift.f > _qm2_dftb_externalshift.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_externalshift.o _qm2_dftb_externalshift.f ** externalshift === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_dftb_externalshift.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_fermi.f > _qm2_dftb_fermi.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_fermi.o _qm2_dftb_fermi.f ** fermi === End of Compilation 1 === "_qm2_dftb_fermi.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 _qm2_dftb_fermi.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_forces.f > _qm2_dftb_forces.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_forces.o _qm2_dftb_forces.f ** qm2_dftb_forces === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_dftb_forces.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_gamma.f > _qm2_dftb_gamma.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_gamma.o _qm2_dftb_gamma.f ** gam12 === End of Compilation 1 === ** gam121 === End of Compilation 2 === ** gamsub === End of Compilation 3 === "_qm2_dftb_gamma.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. "_qm2_dftb_gamma.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. "_qm2_dftb_gamma.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 _qm2_dftb_gamma.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_gammamat.f > _qm2_dftb_gammamat.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_gammamat.o _qm2_dftb_gammamat.f ** gammamatrix === End of Compilation 1 === ** gammamatrix1 === End of Compilation 2 === 1501-510 Compilation successful for file _qm2_dftb_gammamat.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_get_qmmm_forces.f > _qm2_dftb_get_qmmm_forces.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_get_qmmm_forces.o _qm2_dftb_get_qmmm_forces.f ** qm2_dftb_get_qmmm_forces === End of Compilation 1 === "_qm2_dftb_get_qmmm_forces.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 _qm2_dftb_get_qmmm_forces.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_gettab.f > _qm2_dftb_gettab.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_gettab.o _qm2_dftb_gettab.f ** gettab === End of Compilation 1 === 1501-510 Compilation successful for file _qm2_dftb_gettab.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_load_params.f > _qm2_dftb_load_params.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_load_params.o _qm2_dftb_load_params.f ** qm2_dftb_load_params === End of Compilation 1 === ** qm2_dftb_check_slko_file === End of Compilation 2 === ** qm2_dftb_allocate === End of Compilation 3 === ** qm2_dftb_deallocate === End of Compilation 4 === "_qm2_dftb_load_params.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 _qm2_dftb_load_params.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_long_range.f > _qm2_dftb_long_range.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_long_range.o _qm2_dftb_long_range.f ** initphi === End of Compilation 1 === ** phi === End of Compilation 2 === ** phi1 === End of Compilation 3 === ** cross_prod === End of Compilation 4 === ** rezvol === End of Compilation 5 === ** terfc === End of Compilation 6 === ** getalpha === End of Compilation 7 === ** getgrmax === End of Compilation 8 === ** diffrecreal === End of Compilation 9 === ** gspace === End of Compilation 10 === ** rspace === End of Compilation 11 === "_qm2_dftb_long_range.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. "_qm2_dftb_long_range.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. "_qm2_dftb_long_range.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 _qm2_dftb_long_range.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_main.f > _qm2_dftb_main.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_main.o _qm2_dftb_main.f "_qm2_dftb_main.f", line 175.62: 1512-050 (W) Field separator is missing, in literal FMT specifier, after edit descriptor X. A comma is assumed. ** qm2_dftb_main === End of Compilation 1 === ** qm2_dftb_dylcao === End of Compilation 2 === ** qm2_dftb_reallocate_nextch === End of Compilation 3 === 1501-510 Compilation successful for file _qm2_dftb_main.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_my_gradient.f > _qm2_dftb_my_gradient.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_my_gradient.o _qm2_dftb_my_gradient.f ** usualgrd === End of Compilation 1 === "_qm2_dftb_my_gradient.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 _qm2_dftb_my_gradient.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_my_mulliken.f > _qm2_dftb_my_mulliken.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_my_mulliken.o _qm2_dftb_my_mulliken.f ** mulliken === End of Compilation 1 === "_qm2_dftb_my_mulliken.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 _qm2_dftb_my_mulliken.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_repulsiv.f > _qm2_dftb_repulsiv.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_repulsiv.o _qm2_dftb_repulsiv.f ** repulsive === End of Compilation 1 === ** repulsivegrd === End of Compilation 2 === ** repen === End of Compilation 3 === ** grdrep === End of Compilation 4 === "_qm2_dftb_repulsiv.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. "_qm2_dftb_repulsiv.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. "_qm2_dftb_repulsiv.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 _qm2_dftb_repulsiv.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_self.f > _qm2_dftb_self.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_self.o _qm2_dftb_self.f ** selfs === End of Compilation 1 === ** selfp === End of Compilation 2 === ** selfd === End of Compilation 3 === 1501-510 Compilation successful for file _qm2_dftb_self.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_shift.f > _qm2_dftb_shift.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_shift.o _qm2_dftb_shift.f ** hamilshift === End of Compilation 1 === ** gammagrad === End of Compilation 2 === "_qm2_dftb_shift.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 _qm2_dftb_shift.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_short_range.f > _qm2_dftb_short_range.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_short_range.o _qm2_dftb_short_range.f ** shortrange === End of Compilation 1 === ** shortrange1 === End of Compilation 2 === "_qm2_dftb_short_range.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. "_qm2_dftb_short_range.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 _qm2_dftb_short_range.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_skpar.f > _qm2_dftb_skpar.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_skpar.o _qm2_dftb_skpar.f ** skspar === End of Compilation 1 === ** skhpar === End of Compilation 2 === ** cubicspline === End of Compilation 3 === ** spline5th === End of Compilation 4 === "_qm2_dftb_skpar.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. "_qm2_dftb_skpar.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. "_qm2_dftb_skpar.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 _qm2_dftb_skpar.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_slkode.f > _qm2_dftb_slkode.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_slkode.o _qm2_dftb_slkode.f ** slkmatrices === End of Compilation 1 === ** slkode === End of Compilation 2 === "_qm2_dftb_slkode.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 _qm2_dftb_slkode.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm2_dftb_slktrafo.f > _qm2_dftb_slktrafo.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm2_dftb_slktrafo.o _qm2_dftb_slktrafo.f ** skss === End of Compilation 1 === ** sksp === End of Compilation 2 === ** sksd === End of Compilation 3 === ** skpp === End of Compilation 4 === ** skpd === End of Compilation 5 === ** skdd === End of Compilation 6 === "_qm2_dftb_slktrafo.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. "_qm2_dftb_slktrafo.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 _qm2_dftb_slktrafo.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND qm_div.f > _qm_div.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o qm_div.o _qm_div.f ** qm_div === End of Compilation 1 === 1501-510 Compilation successful for file _qm_div.f. /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -qfree=f90 -o force.o _force.f ** force === End of Compilation 1 === ** evb_amber_alloc === End of Compilation 2 === ** evb_amber_dealloc === End of Compilation 3 === "_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. cd ../lib; make sys.a /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND sys.f > _sys.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 -qfloat=nomaf -qfixed -c -o sys.o _sys.f ** amflsh === End of Compilation 1 === 1501-510 Compilation successful for file _sys.f. xlc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O0 -Ddspev=dspev_ -DCLINK_PLAIN -I/usr/include/malloc -o wallclock.o wallclock.c xlc: 1501-216 command option -0 is not recognized - passed to ld ar rvs sys.a sys.o wallclock.o ar: creating archive sys.a a - sys.o a - wallclock.o ranlib sys.a cd ../lib; make nxtsec.o /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND nxtsec.f > _nxtsec.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 -qfloat=nomaf -qfixed -c -o nxtsec.o _nxtsec.f ** nxtsec === End of Compilation 1 === ** nnbchr === End of Compilation 2 === ** nxtsec_crd === End of Compilation 3 === ** nxtsec_crd_reset === End of Compilation 4 === 1501-510 Compilation successful for file _nxtsec.f. cd ../lapack; make Makefile:7: warning: overriding commands for target `.f.o' ../config.h:82: warning: ignoring old commands for target `.f.o' /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND xerbla.f > _xerbla.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -o xerbla.o _xerbla.f ** xerbla === End of Compilation 1 === 1501-510 Compilation successful for file _xerbla.f. ar rvs lapack.a xerbla.o ar: creating archive lapack.a a - xerbla.o ranlib lapack.a cd ../blas; make Makefile:7: warning: overriding commands for target `.f.o' ../config.h:82: warning: ignoring old commands for target `.f.o' /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND dummy.f > _dummy.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -o dummy.o _dummy.f ** dummyblas === End of Compilation 1 === 1501-510 Compilation successful for file _dummy.f. ar rvs blas.a dummy.o ar: creating archive blas.a a - dummy.o ranlib blas.a cd ../lmod; make cd xmin; make Makefile:6: warning: overriding commands for target `.f.o' ../../config.h:82: warning: ignoring old commands for target `.f.o' /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND xmin.f > _xmin.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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -o xmin.o _xmin.f ** xmin === End of Compilation 1 === 1501-510 Compilation successful for file _xmin.f. cd lmod; make Makefile:6: warning: overriding commands for target `.f.o' ../../config.h:82: warning: ignoring old commands for target `.f.o' /opt/ibmcmp/xlf/8.1/exe/cpp -I/usr/local/mpich/include -P -DMPI -DNMLEQ -DCLINK_PLAIN -DXLF90 -DHASSECOND 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 -qfloat=nomaf -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c -o lmod.o _lmod.f ** lmod === End of Compilation 1 === 1501-510 Compilation successful for file _lmod.f. ar rvs lmod.a xmin/*.o lmod/*.o ar: creating archive lmod.a a - xmin/xmin.o a - lmod/lmod.o ranlib lmod.a cd ../lmod; cp lmodprmtop ../../exe; chmod 0755 ../../exe/lmodprmtop 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 -qfree=f90 -o sander.MPI evb_vars.o evb_input.o evb_init.o evb_alloc.o evb_dealloc.o check_input.o evb_io.o evb_keywrd.o exchange_CM.o evb_mcp.o evb_force.o diabatic.o evb_2stdebug.o egap_umb_2stdebug.o exchange_gauss.o exchange_warshel.o morsify.o morse_anal2num.o evb_matrix.o evb_ntrfc.o out_evb.o constants.o stack.o qmmm_module.o trace.o lmod.o decomp.o icosasurf.o egb.o findmask.o pb_force.o pb_exmol.o pb_mpfrc.o pb_direct.o pb_list.o np_force.o sa_driver.o relax_mat.o nmr.o multisander.o sander.o trajene.o cshf.o nmrcal.o pearsn.o printe.o runmin.o rdparm.o mdread.o locmem.o runmd.o getcor.o degcnt.o decnvh.o fastwt.o parallel.o shake.o ene.o mdwrit.o minrit.o set.o dynlib.o mdfil.o nmlsrc.o ew_force.o ew_setup.o ew_box.o ew_bspline.o ew_fft.o nonbond_list.o short_ene.o ew_recip.o pcshift.o align.o rfree.o rgroup.o random.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 is_init.o constantph.o prn_dipoles.o ips.o sglds.o amoeba_valence.o amoeba_multipoles.o amoeba_recip.o amoeba_interface.o amoeba_direct.o amoeba_mdin.o amoeba_adjust.o amoeba_self.o amoeba_vdw.o amoeba_induced.o amoeba_runmd.o bintraj.o spatial_recip.o spatial_fft.o parms.o qm_mm.o qm_link_atoms.o qm_nb_list.o qm_extract_coords.o qm_ewald.o qm_gb.o qm_zero_charges.o qm_print_info.o qm_assign_atom_types.o qm2_allocate_e_repul.o qm2_calc_charges.o qm2_calc_rij_and_eqns.o qm2_dihed.o qm2_energy.o qm2_fock.o qm2_get_qm_forces.o qm2_get_qmmm_forces.o qm2_h1elec.o qm2_hcore_qmqm.o qm2_hcore_qmmm.o qm2_identify_peptide_links.o qm2_load_params_and_allocate.o qm2_repp.o qm2_rotate_qmqm.o qm2_scf.o qm2_setup_orb_exp.o qm2_smallest_number.o qm2_dftb_module.o qm2_dftb_broyden.o qm2_dftb_dispersion_egr.o qm2_dftb_dispersion_params.o qm2_dftb_dispersionread.o qm2_dftb_eglcao.o qm2_dftb_energy.o qm2_dftb_ewevge.o qm2_dftb_externalchgrad.o qm2_dftb_externalshift.o qm2_dftb_fermi.o qm2_dftb_forces.o qm2_dftb_gamma.o qm2_dftb_gammamat.o qm2_dftb_get_qmmm_forces.o qm2_dftb_gettab.o qm2_dftb_load_params.o qm2_dftb_long_range.o qm2_dftb_main.o qm2_dftb_my_gradient.o qm2_dftb_my_mulliken.o qm2_dftb_repulsiv.o qm2_dftb_self.o qm2_dftb_shift.o qm2_dftb_short_range.o qm2_dftb_skpar.o qm2_dftb_slkode.o qm2_dftb_slktrafo.o \ qm_div.o force.o \ ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \ ../lib/nxtsec.o ../lib/sys.a -L/usr/local/mpich/lib -lpmpich -lmpich -lpmpich -lmpich -Wl,-framework -Wl,Accelerate /usr/bin/ld: Undefined symbols: _mpi_bcast _mpi_recv _mpi_send _mpi_allreduce _mpi_allgather _mpi_barrier _mpi_comm_free _mpi_comm_rank _mpi_comm_size _mpi_comm_split _mpi_gather _mpi_init _mpi_sendrecv _mpi_allgatherv _mpi_reduce _mpi_reduce_scatter _mpi_isend _mpi_wait _mpi_abort _mpi_finalize _mpi_type_contiguous _mpi_type_commit _mpi_irecv _mpi_waitany _mpi_waitall _mpi_type_free make[1]: *** [sander.MPI] Error 1 make: *** [parallel] Error 2