Running NWChem on 2 nodes takes more time than a single node


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Quote:Extremis Nov 9th 12:16 pm

I have downloaded and compiled NWChem 6.6 with ARMCI_NETWORK=MPI-PR. When i run it (even a single task) i always get the following error:

[0] Received an Error in Communication: (1) there must be at least two ranks per node
application called MPI_Abort(comm=0x84000000, 1) - process 0



The error message is telling you that you need to use at least two processes/node, e.g. (on a single ndoe)

mpirun -np 2 ...

On two nodes

mpirun -np 4 ...