Build nwchem script for MELLANOX


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Hello, does the automatic build script for nwchem in the ./contrib/distro-tools/build_nwchem | tee build_nwchem.log

recognize a MELLANOX install, in order to avoid OPENMPI?

I have not been able to complete the last make step of

make USE_64TO32=y BLASOPT=" optimized BLAS"


as python is not responding to its demands.

so I want to trey building nwchem automatically on MELLANOX installed on the system, to avoid MPI.


Forum >> NWChem's corner >> Compiling NWChem