Instructions to build with OpenMPI are outdated
Just Got Here
3:11:45 AM PST - Sat, Jan 19th 2019
Here
http://nwchemgit.github.io/index.php/Compiling_NWChem#Method_.232:_using_gfortran_and_openmp...
it recommends to use "-lmpi_f90 -lmpi_f77" which openmpi-1.10.7 doesn't install.

Also 'ga' doesn't even have an option to build with OpenMPI, it just links with mpich when --with-mpi is given.
How can nwchem use OpenMPI if ga uses only mpich?

Forum Vet
10:59:33 AM PST - Mon, Jan 21st 2019
Those instructions are indeed obsolete.
Since NWChem 6.6 we do not recommend setting any MPI env. variable, but to simply point PATH to the mpif90 in use

https://github.com/nwchemgit/nwchem/wiki/Compiling-NWChem#how-to-linux-platforms

Just Got Here
12:52:23 PM PST - Mon, Jan 21st 2019
What about ga? Can NWChem use OpenMPI when ga doesn't seem to support it? I don't think different MPI implementations can be safely mixed in one process.

Forum Vet
4:48:48 PM PST - Mon, Jan 21st 2019
Quote:Yurivict Jan 21st 11:52 am
What about ga? Can NWChem use OpenMPI when ga doesn't seem to support it? I don't think different MPI implementations can be safely mixed in one process.

We do ship GA with NWChem. That's the model we can directly support.


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