NWChem 6.3 with OpenMPI: configure error: f2c string convention


Click here for full thread
Forum Vet
Please change settings
Heike,
Could you please try with the following settings

export MPI_LIB=/opt/ompi-1.6.3/lib
export MPI_INCLUDE=/opt/ompi-1.6.3/include
export LIBMPI="-pthread -L/opt/hwloc/lib -L/opt/ompi-1.6.3/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl -lhwloc -Wl,--export-dynamic -lrt -lnsl -lutil -lm -ldl -Wl,-rpath -Wl,/opt/hwloc/lib -Wl,-rpath -Wl,/opt/hwloc/lib"
export LD_LIBRARY_PATH=/opt/ompi-1.6.3/lib:/opt/hwloc/lib:$LD_LIBRARY_PATH

Please check that libmpi_f90.so.3 can be found either in /opt/ompi-1.6.3/lib or /opt/hwloc/lib
.
As far as the compilation command, please just type

make FC=ifort

Please let me know if this allows you to pass the previous roadblock.

Cheers, Edo