NWCHEM fails to run on multiple nodes


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When ARMCI_NETWORK is set to MPI-SPAWN, NWChem's GA/ARMCI parallel infrastructure uses MPI-2's dynamic process management to spawn additional processes for communication (communication co-processes).

Due of this you need to make sure you compile NWChem using an MPI implementation that supports dynamic process management (i.e. MPI_Comm_spawn_multiple).

Bert