| 3:51:33 AM PDT - Fri, Oct 25th 2013 |
|
Dear all,
I am trying to compile NWChem with MPI. The environment variables I use are the following:
NWCHEM_TARGET=LINUX64
NWCHEM_MODULES=all
ARMCI_NETWORK=MPI-TS
LARGE_FILES=TRUE
USE_NOFSCHECK=TRUE
USE_MPI=y
USE_MPIF=y
USE_MPIF4=y
MPI_LOC=/opt/openmpi-1.6.3
MPI_LIB=/opt/openmpi-1.6.3/lib
MPI_INCLUDE=/opt/openmpi-1.6.3/include
LIBMPI=-lmpi_f90 -lmpi_f77 -lmpi -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.
|