Can anybody help me with compile NWCHEM?


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I just tried to use Openmpi 1.10.0 and I got an mpipf90 -show output different from yours (and I have eventually manage to build nwchem).
What is the output you get for
mpif90 -showme:version


This is what I am getting
$ mpif90 -showme:version
mpif90: Open MPI 1.10.0 (Language: Fortran)
$ mpif90 -show
ifort -I/home/edo/apps/ompi1100.ifort/include -I/home/edo/apps/ompi1100.ifort/lib -Wl,-rpath -Wl,/home/edo/apps/ompi1100.ifort/lib -Wl,--enable-new-dtags -L/home/edo/apps/ompi1100.ifort/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi

This is what I used to build NWChem. Please notice the LIBMPI value, that seems very different from yours
MPI_INCLUDE=/home/edo/apps/ompi1100.ifort/include
MPI_LIB=/home/edo/apps/ompi1100.ifort/lib
LIBMPI="-lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi"