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- Starting installation of Amber9 (parallel) at Wed Sep 8 14:18:04 CEST 2010.
- cd sander; make parallel
- make[1]: Entering directory `/struct/software/linux/amber-9/src/sander'
- ./checkparconf
- cd ../lib; make sys.a
- make[2]: Entering directory `/struct/software/linux/amber-9/src/lib'
- make[2]: `sys.a' is up to date.
- make[2]: Leaving directory `/struct/software/linux/amber-9/src/lib'
- cd ../lib; make nxtsec.o
- make[2]: Entering directory `/struct/software/linux/amber-9/src/lib'
- make[2]: `nxtsec.o' is up to date.
- make[2]: Leaving directory `/struct/software/linux/amber-9/src/lib'
- cd ../lapack; make
- make[2]: Entering directory `/struct/software/linux/amber-9/src/lapack'
- Makefile:7: warning: overriding commands for target `.f.o'
- ../config.h:82: warning: ignoring old commands for target `.f.o'
- ar rv lapack.a dsyev.o dsygv.o dlansy.o dsytrd.o dorgtr.o dsteqr.o dsterf.o dlascl.o dlamch.o xerbla.o ilaenv.o dlassq.o dsytd2.o dlatrd.o dorgql.o dorgqr.o dlasrt.o dlaset.o dlanst.o dlaev2.o dlasr.o dlapy2.o dlartg.o dlae2.o dorg2r.o dlarft.o dlarfb.o dorg2l.o dlarfg.o dlarf.o dspev.o dlansp.o dsptrd.o dopgtr.o dppsv.o dspsv.o dgeev.o dsptrs.o dsptrf.o dpptrs.o dpptrf.o dgebak.o dtrevc.o dlacpy.o dhseqr.o dorghr.o dgehrd.o dgebal.o dlange.o dlabad.o dlahqr.o dlarfx.o dlanhs.o dlaln2.o dgehd2.o dlahrd.o dlanv2.o dladiv.o dgerq2.o dorm2r.o dlarnv.o dgeqr2.o dlaruv.o dspevd.o dstedc.o dopmtr.o dlaed0.o dlaed1.o dlaed7.o dlaeda.o dlaed8.o dlaed9.o dlamrg.o dlaed2.o dlaed3.o dpotrf.o dsygst.o dpotf2.o dsygs2.o dlaebz.o dlagtf.o dlagts.o dormqr.o dormql.o dorm2l.o dlaed4.o dlaed5.o dlaed6.o ieeeck.o dsyevx.o dsyevd.o dstebz.o dstein.o dormtr.o zheev.o lsame.o zlanhe.o zlascl.o zhetrd.o zungtr.o zsteqr.o zlassq.o zlatrd.o zhetd2.o zungql.o zungqr.o zlasr.o zlaset.o zlacgv.o zlarfg.o zung2l.o zlarft.o zlarfb.o zung2r.o dlapy3.o zladiv.o zlarf.o
- r - dsyev.o
- r - dsygv.o
- r - dlansy.o
- r - dsytrd.o
- r - dorgtr.o
- r - dsteqr.o
- r - dsterf.o
- r - dlascl.o
- r - dlamch.o
- r - xerbla.o
- r - ilaenv.o
- r - dlassq.o
- r - dsytd2.o
- r - dlatrd.o
- r - dorgql.o
- r - dorgqr.o
- r - dlasrt.o
- r - dlaset.o
- r - dlanst.o
- r - dlaev2.o
- r - dlasr.o
- r - dlapy2.o
- r - dlartg.o
- r - dlae2.o
- r - dorg2r.o
- r - dlarft.o
- r - dlarfb.o
- r - dorg2l.o
- r - dlarfg.o
- r - dlarf.o
- r - dspev.o
- r - dlansp.o
- r - dsptrd.o
- r - dopgtr.o
- r - dppsv.o
- r - dspsv.o
- r - dgeev.o
- r - dsptrs.o
- r - dsptrf.o
- r - dpptrs.o
- r - dpptrf.o
- r - dgebak.o
- r - dtrevc.o
- r - dlacpy.o
- r - dhseqr.o
- r - dorghr.o
- r - dgehrd.o
- r - dgebal.o
- r - dlange.o
- r - dlabad.o
- r - dlahqr.o
- r - dlarfx.o
- r - dlanhs.o
- r - dlaln2.o
- r - dgehd2.o
- r - dlahrd.o
- r - dlanv2.o
- r - dladiv.o
- r - dgerq2.o
- r - dorm2r.o
- r - dlarnv.o
- r - dgeqr2.o
- r - dlaruv.o
- r - dspevd.o
- r - dstedc.o
- r - dopmtr.o
- r - dlaed0.o
- r - dlaed1.o
- r - dlaed7.o
- r - dlaeda.o
- r - dlaed8.o
- r - dlaed9.o
- r - dlamrg.o
- r - dlaed2.o
- r - dlaed3.o
- r - dpotrf.o
- r - dsygst.o
- r - dpotf2.o
- r - dsygs2.o
- r - dlaebz.o
- r - dlagtf.o
- r - dlagts.o
- r - dormqr.o
- r - dormql.o
- r - dorm2l.o
- r - dlaed4.o
- r - dlaed5.o
- r - dlaed6.o
- r - ieeeck.o
- r - dsyevx.o
- r - dsyevd.o
- r - dstebz.o
- r - dstein.o
- r - dormtr.o
- r - zheev.o
- r - lsame.o
- r - zlanhe.o
- r - zlascl.o
- r - zhetrd.o
- r - zungtr.o
- r - zsteqr.o
- r - zlassq.o
- r - zlatrd.o
- r - zhetd2.o
- r - zungql.o
- r - zungqr.o
- r - zlasr.o
- r - zlaset.o
- r - zlacgv.o
- r - zlarfg.o
- r - zung2l.o
- r - zlarft.o
- r - zlarfb.o
- r - zung2r.o
- r - dlapy3.o
- r - zladiv.o
- r - zlarf.o
- ranlib lapack.a
- make[2]: Leaving directory `/struct/software/linux/amber-9/src/lapack'
- cd ../blas; make
- make[2]: Entering directory `/struct/software/linux/amber-9/src/blas'
- Makefile:7: warning: overriding commands for target `.f.o'
- ../config.h:82: warning: ignoring old commands for target `.f.o'
- ar rv blas.a dasum.o daxpy.o dcabs1.o dcopy.o ddot.o dgbmv.o dgemm.o dgemv.o dger.o dnrm2.o drot.o drotg.o dsbmv.o dscal.o dspmv.o dspr.o dspr2.o dswap.o dsymm.o dsymv.o dsyr.o dsyr2.o dsyr2k.o dsyrk.o dtbmv.o dtbsv.o dtpmv.o dtpsv.o dtrmm.o dtrmv.o dtrsm.o dtrsv.o dummy.o dzasum.o dznrm2.o idamax.o isamax.o lsame.o scopy.o sswap.o sscal.o sasum.o snrm2.o sdot.o ssyr2k.o saxpy.o sgemv.o ssyr2.o ssymv.o sgemm.o strmm.o strmv.o sger.o zher2k.o zswap.o zgemv.o zhemv.o zscal.o zdotc.o zaxpy.o zher2.o zdscal.o ztrmv.o zcopy.o ztrmm.o zgemm.o zgerc.o
- r - dasum.o
- r - daxpy.o
- r - dcabs1.o
- r - dcopy.o
- r - ddot.o
- r - dgbmv.o
- r - dgemm.o
- r - dgemv.o
- r - dger.o
- r - dnrm2.o
- r - drot.o
- r - drotg.o
- r - dsbmv.o
- r - dscal.o
- r - dspmv.o
- r - dspr.o
- r - dspr2.o
- r - dswap.o
- r - dsymm.o
- r - dsymv.o
- r - dsyr.o
- r - dsyr2.o
- r - dsyr2k.o
- r - dsyrk.o
- r - dtbmv.o
- r - dtbsv.o
- r - dtpmv.o
- r - dtpsv.o
- r - dtrmm.o
- r - dtrmv.o
- r - dtrsm.o
- r - dtrsv.o
- r - dummy.o
- r - dzasum.o
- r - dznrm2.o
- r - idamax.o
- r - isamax.o
- r - lsame.o
- r - scopy.o
- r - sswap.o
- r - sscal.o
- r - sasum.o
- r - snrm2.o
- r - sdot.o
- r - ssyr2k.o
- r - saxpy.o
- r - sgemv.o
- r - ssyr2.o
- r - ssymv.o
- r - sgemm.o
- r - strmm.o
- r - strmv.o
- r - sger.o
- r - zher2k.o
- r - zswap.o
- r - zgemv.o
- r - zhemv.o
- r - zscal.o
- r - zdotc.o
- r - zaxpy.o
- r - zher2.o
- r - zdscal.o
- r - ztrmv.o
- r - zcopy.o
- r - ztrmm.o
- r - zgemm.o
- r - zgerc.o
- ranlib blas.a
- make[2]: Leaving directory `/struct/software/linux/amber-9/src/blas'
- cd ../lmod; make
- make[2]: Entering directory `/struct/software/linux/amber-9/src/lmod'
- cd xmin; make
- make[3]: Entering directory `/struct/software/linux/amber-9/src/lmod/xmin'
- Makefile:6: warning: overriding commands for target `.f.o'
- ../../config.h:82: warning: ignoring old commands for target `.f.o'
- make[3]: Nothing to be done for `install'.
- make[3]: Leaving directory `/struct/software/linux/amber-9/src/lmod/xmin'
- cd lmod; make
- make[3]: Entering directory `/struct/software/linux/amber-9/src/lmod/lmod'
- Makefile:6: warning: overriding commands for target `.f.o'
- ../../config.h:82: warning: ignoring old commands for target `.f.o'
- make[3]: Nothing to be done for `install'.
- make[3]: Leaving directory `/struct/software/linux/amber-9/src/lmod/lmod'
- ar rv lmod.a xmin/*.o lmod/*.o
- r - xmin/xmin.o
- r - lmod/lmod.o
- ranlib lmod.a
- make[2]: Leaving directory `/struct/software/linux/amber-9/src/lmod'
- cd ../lmod; cp lmodprmtop ../../exe; chmod 0755 ../../exe/lmodprmtop
- gfortran -ffree-form -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/lib -L/usr/lib64 -llammpio -llamf77mpi -lmpi -llam -laio -laio -lutil -ldl -lpthread
- /usr/bin/ld: skipping incompatible /usr/lib/libutil.so when searching for -lutil
- /usr/bin/ld: skipping incompatible /usr/lib/libutil.a when searching for -lutil
- /usr/bin/ld: skipping incompatible /usr/lib/libdl.so when searching for -ldl
- /usr/bin/ld: skipping incompatible /usr/lib/libdl.a when searching for -ldl
- /usr/bin/ld: skipping incompatible /usr/lib/libpthread.so when searching for -lpthread
- /usr/bin/ld: skipping incompatible /usr/lib/libpthread.a when searching for -lpthread
- /usr/bin/ld: skipping incompatible /usr/lib/libm.so when searching for -lm
- /usr/bin/ld: skipping incompatible /usr/lib/libm.a when searching for -lm
- /usr/bin/ld: skipping incompatible /usr/lib/libc.so when searching for -lc
- /usr/bin/ld: skipping incompatible /usr/lib/libc.a when searching for -lc
- evb_init.o(.text+0x508): In function `evb_init_':
- : undefined reference to `mpi_bcast_'
- evb_init.o(.text+0x52e): In function `evb_init_':
- : undefined reference to `mpi_bcast_'
- evb_init.o(.text+0xb84): In function `evb_init_':
- : undefined reference to `mpi_bcast_'
- evb_init.o(.text+0xca9): In function `evb_init_':
- : undefined reference to `mpi_bcast_'
- evb_init.o(.text+0xdef): In function `evb_init_':
- : undefined reference to `mpi_bcast_'
- evb_init.o(.text+0xf11): more undefined references to `mpi_bcast_' follow
- qmmm_module.o(.text+0x1322): In function `__qmmm_module__qmmm_mpi_setup':
- : undefined reference to `mpi_send_'
- qmmm_module.o(.text+0x1575): In function `__qmmm_module__qmmm_mpi_setup':
- : undefined reference to `mpi_recv_'
- qmmm_module.o(.text+0x18f9): In function `__qmmm_module__qmmm_mpi_setup':
- : undefined reference to `mpi_recv_'
- qmmm_module.o(.text+0x1a58): In function `__qmmm_module__qmmm_mpi_setup':
- : undefined reference to `mpi_send_'
- egb.o(.text+0x2c51): In function `__genborn__egb':
- : undefined reference to `mpi_allreduce_'
- egb.o(.text+0x6716): In function `__genborn__egb_calc_radii':
- : undefined reference to `mpi_allreduce_'
- multisander.o(.text+0x42): In function `MAIN__':
- : undefined reference to `mpi_init_'
- multisander.o(.text+0x5f): In function `MAIN__':
- : undefined reference to `mpi_comm_rank_'
- multisander.o(.text+0x72): In function `MAIN__':
- : undefined reference to `mpi_comm_size_'
- multisander.o(.text+0x80): In function `MAIN__':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0xeb): In function `MAIN__':
- : undefined reference to `mpi_bcast_'
- multisander.o(.text+0x27c): In function `MAIN__':
- : undefined reference to `mpi_bcast_'
- multisander.o(.text+0x434): In function `MAIN__':
- : undefined reference to `mpi_bcast_'
- multisander.o(.text+0x45a): In function `MAIN__':
- : undefined reference to `mpi_bcast_'
- multisander.o(.text+0x520): In function `MAIN__':
- : undefined reference to `mpi_bcast_'
- multisander.o(.text+0x5ab): In function `MAIN__':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0x606): In function `MAIN__':
- : undefined reference to `mpi_comm_split_'
- multisander.o(.text+0x6f3): In function `MAIN__':
- : undefined reference to `mpi_comm_size_'
- multisander.o(.text+0x706): In function `MAIN__':
- : undefined reference to `mpi_comm_rank_'
- multisander.o(.text+0x76a): In function `MAIN__':
- : undefined reference to `mpi_comm_split_'
- multisander.o(.text+0x82b): In function `MAIN__':
- : undefined reference to `mpi_comm_size_'
- multisander.o(.text+0x83e): In function `MAIN__':
- : undefined reference to `mpi_comm_rank_'
- multisander.o(.text+0xa26): In function `MAIN__':
- : undefined reference to `mpi_bcast_'
- multisander.o(.text+0xa34): In function `MAIN__':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0xfd8): In function `MAIN__':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0x1651): In function `MAIN__':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0x176e): In function `MAIN__':
- : undefined reference to `mpi_allgather_'
- multisander.o(.text+0x2bb8): In function `MAIN__':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0x2d48): In function `MAIN__':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0x2dd5): In function `MAIN__':
- : undefined reference to `mpi_comm_free_'
- multisander.o(.text+0x2e03): In function `MAIN__':
- : undefined reference to `mpi_comm_free_'
- multisander.o(.text+0x2f6e): In function `subrem_':
- : undefined reference to `mpi_allgather_'
- multisander.o(.text+0x2fa6): In function `subrem_':
- : undefined reference to `mpi_allgather_'
- multisander.o(.text+0x2fde): In function `subrem_':
- : undefined reference to `mpi_allgather_'
- multisander.o(.text+0x3f8f): In function `subrem_':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0x3fc9): In function `subrem_':
- : undefined reference to `mpi_send_'
- multisander.o(.text+0x404e): In function `subrem_':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0x4092): In function `subrem_':
- : undefined reference to `mpi_recv_'
- multisander.o(.text+0x4157): In function `subrem_':
- : undefined reference to `mpi_barrier_'
- multisander.o(.text+0x4198): In function `subrem_':
- : undefined reference to `mpi_gather_'
- multisander.o(.text+0x41d9): In function `subrem_':
- : undefined reference to `mpi_gather_'
- multisander.o(.text+0x420a): In function `subrem_':
- : undefined reference to `mpi_allreduce_'
- sander.o(.text+0x260f): In function `sander_':
- : undefined reference to `mpi_bcast_'
- sander.o(.text+0x2638): In function `sander_':
- : undefined reference to `mpi_bcast_'
- sander.o(.text+0x2661): In function `sander_':
- : undefined reference to `mpi_bcast_'
- sander.o(.text+0x2677): In function `sander_':
- : undefined reference to `mpi_barrier_'
- sander.o(.text+0x2a8b): In function `sander_':
- : undefined reference to `mpi_bcast_'
- sander.o(.text+0x4e63): In function `sander_':
- : undefined reference to `mpi_bcast_'
- nmrcal.o(.text+0x2ed3): In function `master.0.nmrcal_':
- : undefined reference to `mpi_bcast_'
- nmrcal.o(.text+0x2ef9): In function `master.0.nmrcal_':
- : undefined reference to `mpi_bcast_'
- nmrcal.o(.text+0x2f39): In function `master.0.nmrcal_':
- : undefined reference to `mpi_bcast_'
- nmrcal.o(.text+0x2f75): more undefined references to `mpi_bcast_' follow
- runmin.o(.text+0x1599): In function `runmin_':
- : undefined reference to `mpi_sendrecv_'
- runmin.o(.text+0x1603): In function `runmin_':
- : undefined reference to `mpi_sendrecv_'
- mdread.o(.text+0xf454): In function `mdread2_':
- : undefined reference to `mpi_bcast_'
- mdread.o(.text+0xf48f): In function `mdread2_':
- : undefined reference to `mpi_bcast_'
- mdread.o(.text+0xf5b5): In function `mdread2_':
- : undefined reference to `mpi_sendrecv_'
- mdread.o(.text+0xf624): In function `mdread2_':
- : undefined reference to `mpi_sendrecv_'
- runmd.o(.text+0xd1a): In function `runmd_':
- : undefined reference to `mpi_allreduce_'
- runmd.o(.text+0xf0e): In function `runmd_':
- : undefined reference to `mpi_bcast_'
- runmd.o(.text+0xf33): In function `runmd_':
- : undefined reference to `mpi_bcast_'
- runmd.o(.text+0x19a8): In function `runmd_':
- : undefined reference to `mpi_allreduce_'
- runmd.o(.text+0x3539): In function `runmd_':
- : undefined reference to `mpi_sendrecv_'
- runmd.o(.text+0x3596): In function `runmd_':
- : undefined reference to `mpi_sendrecv_'
- runmd.o(.text+0x37d9): In function `runmd_':
- : undefined reference to `mpi_bcast_'
- runmd.o(.text+0x545d): In function `runmd_':
- : undefined reference to `mpi_bcast_'
- runmd.o(.text+0x5482): In function `runmd_':
- : undefined reference to `mpi_bcast_'
- runmd.o(.text+0x5ef7): In function `runmd_':
- : undefined reference to `mpi_sendrecv_'
- runmd.o(.text+0x5f54): In function `runmd_':
- : undefined reference to `mpi_sendrecv_'
- parallel.o(.text+0x48): In function `startup_':
- : undefined reference to `mpi_bcast_'
- parallel.o(.text+0x6e): In function `startup_':
- : undefined reference to `mpi_bcast_'
- parallel.o(.text+0x94): In function `startup_':
- : undefined reference to `mpi_bcast_'
- parallel.o(.text+0xba): In function `startup_':
- : undefined reference to `mpi_bcast_'
- parallel.o(.text+0xe0): In function `startup_':
- : undefined reference to `mpi_bcast_'
- parallel.o(.text+0x106): more undefined references to `mpi_bcast_' follow
- parallel.o(.text+0x7b6): In function `startup_':
- : undefined reference to `mpi_barrier_'
- parallel.o(.text+0x9dd): In function `fdist_':
- : undefined reference to `mpi_reduce_'
- parallel.o(.text+0xb44): In function `fdist_':
- : undefined reference to `mpi_allreduce_'
- parallel.o(.text+0xc9b): In function `fdist_':
- : undefined reference to `mpi_allreduce_'
- parallel.o(.text+0xffe): In function `fsum_':
- : undefined reference to `mpi_sendrecv_'
- parallel.o(.text+0x1122): In function `fsum_':
- : undefined reference to `mpi_reduce_scatter_'
- parallel.o(.text+0x13fc): In function `xdist_':
- : undefined reference to `mpi_sendrecv_'
- parallel.o(.text+0x14c5): In function `xdist_':
- : undefined reference to `mpi_allgatherv_'
- ew_force.o(.text+0x29ff): In function `ewald_force_':
- : undefined reference to `mpi_comm_rank_'
- ew_force.o(.text+0x2a16): In function `ewald_force_':
- : undefined reference to `mpi_comm_size_'
- ew_force.o(.text+0x2d85): In function `ewald_force_':
- : undefined reference to `mpi_allreduce_'
- ew_force.o(.text+0x2f89): In function `ewald_force_':
- : undefined reference to `mpi_allreduce_'
- ew_force.o(.text+0x335a): In function `ewald_force_':
- : undefined reference to `mpi_comm_size_'
- ew_force.o(.text+0x3371): In function `ewald_force_':
- : undefined reference to `mpi_comm_rank_'
- ew_force.o(.text+0x3555): In function `ewald_force_':
- : undefined reference to `mpi_comm_rank_'
- ew_force.o(.text+0x356c): In function `ewald_force_':
- : undefined reference to `mpi_comm_size_'
- ew_force.o(.text+0x3b5a): In function `ewald_force_':
- : undefined reference to `mpi_comm_size_'
- ew_force.o(.text+0x3b71): In function `ewald_force_':
- : undefined reference to `mpi_comm_rank_'
- ew_force.o(.text+0x447a): In function `ewald_force_':
- : undefined reference to `mpi_comm_rank_'
- ew_force.o(.text+0x4491): In function `ewald_force_':
- : undefined reference to `mpi_comm_size_'
- ew_force.o(.text+0x4622): In function `ewald_force_':
- : undefined reference to `mpi_comm_size_'
- ew_force.o(.text+0x4639): In function `ewald_force_':
- : undefined reference to `mpi_comm_rank_'
- ew_setup.o(.text+0x6ae): In function `startup_groups_':
- : undefined reference to `mpi_bcast_'
- ew_setup.o(.text+0x3738): In function `ew_startup_':
- : undefined reference to `mpi_comm_size_'
- ew_setup.o(.text+0x374a): In function `ew_startup_':
- : undefined reference to `mpi_comm_rank_'
- ew_setup.o(.text+0x376a): In function `ew_startup_':
- : undefined reference to `mpi_comm_size_'
- ew_setup.o(.text+0x377c): In function `ew_startup_':
- : undefined reference to `mpi_comm_rank_'
- ew_fft.o(.text+0x5e9d): In function `zx_trans_recv_':
- : undefined reference to `mpi_recv_'
- ew_fft.o(.text+0x61a3): In function `zx_xy_transpose_':
- : undefined reference to `mpi_isend_'
- ew_fft.o(.text+0x61e7): In function `zx_xy_transpose_':
- : undefined reference to `mpi_wait_'
- ew_fft.o(.text+0x62e2): In function `xy_zx_trans_recv_':
- : undefined reference to `mpi_recv_'
- ew_fft.o(.text+0x6660): In function `xy_zx_transpose_':
- : undefined reference to `mpi_isend_'
- ew_fft.o(.text+0x66b3): In function `xy_zx_transpose_':
- : undefined reference to `mpi_wait_'
- nonbond_list.o(.text+0x759d): In function `__nblist__nonbond_list':
- : undefined reference to `mpi_barrier_'
- nonbond_list.o(.text+0x76e7): In function `__nblist__nonbond_list':
- : undefined reference to `mpi_comm_size_'
- nonbond_list.o(.text+0x76fe): In function `__nblist__nonbond_list':
- : undefined reference to `mpi_comm_rank_'
- nonbond_list.o(.text+0x7fce): In function `__nblist__nonbond_list':
- : undefined reference to `mpi_allreduce_'
- nonbond_list.o(.text+0x83f0): In function `__nblist__nonbond_list':
- : undefined reference to `mpi_allreduce_'
- nonbond_list.o(.text+0x8499): In function `__nblist__nonbond_list':
- : undefined reference to `mpi_allreduce_'
- nonbond_list.o(.text+0x84b0): In function `__nblist__nonbond_list':
- : undefined reference to `mpi_comm_rank_'
- nonbond_list.o(.text+0x84c7): In function `__nblist__nonbond_list':
- : undefined reference to `mpi_comm_size_'
- ew_recip.o(.text+0x3817): In function `__ew_recip__do_pmesh_kspace':
- : undefined reference to `mpi_barrier_'
- debug.o(.text+0x1def): In function `merge_forces_':
- : undefined reference to `mpi_reduce_'
- debug.o(.text+0x98eb): In function `get_analfrc_':
- : undefined reference to `mpi_barrier_'
- ew_dipole_recip.o(.text+0x25ba): In function `__ew_dipole_recip__do_pmesh_dipole_kspace':
- : undefined reference to `mpi_barrier_'
- ew_dipole_recip.o(.text+0x27cc): In function `__ew_dipole_recip__do_pmesh_dipole_kspace':
- : undefined reference to `mpi_barrier_'
- ew_dipole_recip.o(.text+0x2c77): In function `__ew_dipole_recip__do_pmesh_dipole_kspace':
- : undefined reference to `mpi_barrier_'
- mexit.o(.text+0x28): In function `mexit_':
- : undefined reference to `mpi_abort_'
- mexit.o(.text+0x3a): In function `mexit_':
- : undefined reference to `mpi_finalize_'
- new_time.o(.text+0x3e9): In function `profile_time_':
- : undefined reference to `mpi_send_'
- new_time.o(.text+0x762): In function `profile_time_':
- : undefined reference to `mpi_recv_'
- new_time.o(.text+0x1b94): In function `timer_barrier_':
- : undefined reference to `mpi_barrier_'
- ips.o(.text+0xbeb): In function `ipsupdate_':
- : undefined reference to `mpi_allreduce_'
- sglds.o(.text+0x363): In function `sgmdw_':
- : undefined reference to `mpi_allreduce_'
- sglds.o(.text+0xadb): In function `sgldw_':
- : undefined reference to `mpi_allreduce_'
- spatial_recip.o(.text+0x3fd9): In function `__ew_recip_spatial__spatial_do_pmesh_kspace':
- : undefined reference to `mpi_barrier_'
- spatial_fft.o(.text+0x1837): In function `__fft__transpose':
- : undefined reference to `mpi_type_contiguous_'
- spatial_fft.o(.text+0x1849): In function `__fft__transpose':
- : undefined reference to `mpi_type_commit_'
- spatial_fft.o(.text+0x1b10): In function `__fft__transpose':
- : undefined reference to `mpi_irecv_'
- spatial_fft.o(.text+0x1d87): In function `__fft__transpose':
- : undefined reference to `mpi_isend_'
- spatial_fft.o(.text+0x1fe7): In function `__fft__transpose':
- : undefined reference to `mpi_waitany_'
- spatial_fft.o(.text+0x2187): In function `__fft__transpose':
- : undefined reference to `mpi_waitall_'
- spatial_fft.o(.text+0x2199): In function `__fft__transpose':
- : undefined reference to `mpi_type_free_'
- spatial_fft.o(.text+0x23e2): In function `__fft__ftranspose':
- : undefined reference to `mpi_type_contiguous_'
- spatial_fft.o(.text+0x23f4): In function `__fft__ftranspose':
- : undefined reference to `mpi_type_commit_'
- spatial_fft.o(.text+0x26dc): In function `__fft__ftranspose':
- : undefined reference to `mpi_irecv_'
- spatial_fft.o(.text+0x2977): In function `__fft__ftranspose':
- : undefined reference to `mpi_isend_'
- spatial_fft.o(.text+0x2bde): In function `__fft__ftranspose':
- : undefined reference to `mpi_waitany_'
- spatial_fft.o(.text+0x2d7b): In function `__fft__ftranspose':
- : undefined reference to `mpi_waitall_'
- spatial_fft.o(.text+0x2da7): In function `__fft__ftranspose':
- : undefined reference to `mpi_type_free_'
- qm_ewald.o(.text+0x4b10): In function `qm_ewald_setup_':
- : undefined reference to `mpi_gather_'
- qm2_load_params_and_allocate.o(.text+0x1ac8a): In function `qm2_load_params_and_allocate_':
- : undefined reference to `mpi_allgather_'
- qm2_scf.o(.text+0x25a6): In function `qm2_scf_':
- : undefined reference to `mpi_allreduce_'
- qm2_scf.o(.text+0x286e): In function `qm2_scf_':
- : undefined reference to `mpi_reduce_'
- qm2_scf.o(.text+0x298b): In function `qm2_scf_':
- : undefined reference to `mpi_bcast_'
- force.o(.text+0x1469): In function `force_':
- : undefined reference to `mpi_bcast_'
- force.o(.text+0x1b68): In function `force_':
- : undefined reference to `mpi_bcast_'
- force.o(.text+0x1ba4): In function `force_':
- : undefined reference to `mpi_bcast_'
- force.o(.text+0x1bc6): In function `force_':
- : undefined reference to `mpi_bcast_'
- force.o(.text+0x1beb): more undefined references to `mpi_bcast_' follow
- force.o(.text+0x23d7): In function `force_':
- : undefined reference to `mpi_allgather_'
- force.o(.text+0x2405): In function `force_':
- : undefined reference to `mpi_allgather_'
- collect2: ld returned 1 exit status
- make[1]: *** [sander.MPI] Error 1
- make[1]: Leaving directory `/struct/software/linux/amber-9/src/sander'
- make: *** [parallel] Error 2
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