| 7:03:14 PM PDT - Tue, Sep 29th 2015 |
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Dear all,
I am trying to compile NWChem with MPI. The environment variables I use are the following:
NWCHEM_TARGET=MACX64
NWCHEM_MODULES=all
ARMCI_NETWORK=MPI-TS
LARGE_FILES=TRUE
USE_NOFSCHECK=TRUE
USE_MPI=y
USE_MPIF=y
USE_MPIF4=y
MPI_LIB=/usr/local/lib
MPI_INCLUDE=/usr/local/include
I have tried the following libraries:
LIBMPI=-lmpi_f90 -lmpi_f77 -lmpi -lpthread
LIBMPI=-lfmpich -lmpich -lpmpich
LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -Wl,--export-dynamic -lrt -lnsl -lutil -lm -ldl"
LIBMPI=" -lmpifort -lmpi -lpmpi -lpthread"
Unfortunately, the compilation fails. The last lines of output from the "make" command are the following:
configure: searching for MPI_TS...
checking mpi.h usability... yes
checking mpi.h presence... yes
checking for mpi.h... yes
checking for library containing MPI_Init... no
configure: error: test for COMEX_NETWORK=MPI_TS failed
configure: error: ../../ga-5-2/comex/configure failed for comex
make[1]: *** [build/config.status] Error 1
make: *** [libraries] Error 1
I would appreciate very much suggestions that could lead to the solution of the problem.
Thanks for your help.
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