| 5:50:56 AM PDT - Mon, Jul 30th 2012 |
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Hi,
I was compiling NWChem 6.1.1 and got the following error message:
......
/home/fan_group/nwchem-6.1.1/lib/LINUX64/libnwpwlib.a(CMatrix-mpi.o): In function `cmatrix_getdiags_':
CMatrix-mpi.F:(.text+0x1184): undefined reference to `mpi_bcast_'
CMatrix-mpi.F:(.text+0x1202): undefined reference to `mpi_allreduce_'
CMatrix-mpi.F:(.text+0x13c5): undefined reference to `mpi_bcast_'
CMatrix-mpi.F:(.text+0x1440): undefined reference to `mpi_allreduce_'
......
/home/fan_group/nwchem-6.1.1/lib/LINUX64/libnwpwlib.a(CMatrix-mpi.o): In function `cmatrix_start_rot_':
CMatrix-mpi.F:(.text+0x3a4e): undefined reference to `mpi_irecv_'
CMatrix-mpi.F:(.text+0x3ab3): undefined reference to `mpi_isend_'
collect2: ld returned 1 exit status
make: *** [all] Error 1
setenv LARGE_FILES TRUE
setenv USE_NOFSCHECK TRUE
setenv LARGE_FILES TRUE
setenv USE_NOFSCHECK TRUE
setenv NWCHEM_TARGET LINUX64
setenv NWCHEM_MODULES all
setenv TCGRSH /usr/bin/ssh
setenv USE_MPI y
setenv USE_MPIF y
setenv USE_MPIF4 y
setenv MPI_LOC /home/fan_group/mpich-1.2.6
setenv MPI_LIB $MPI_LOC/lib
setenv MPI_INCLUDE $MPI_LOC/include
setenv NWCHEM_TOP /home/fan_group/nwchem-6.1.1
setenv NWCHEM_EXEC /home/fan_group/nwchem-6.1.1/bin/LINUX64/nwchem
setenv BLASOPT "-L/home/fan_group/intel/mkl/10.2.5.035/lib/em64t -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lmkl_lapack"
setenv LIBMPI "-lfmpich -lmpich -lpmpich"
setenv FC $MPI_LOC/bin/mpif90
setenv F77 $MPI_LOC/bin/mpif77
setenv CC $MPI_LOC/bin/mpicc
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