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


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Quote:Extremis Nov 5th 10:32 am
Is there any chance the limiting factor is the high latency of Ethernet networks? What could i do to run NWChem on a slow Ethernet network?


Thanks in advance,
Kostas


Yes, network latency can be a limiting factor for several NWChem modules.
We have done a bit of work try to overcome this issue in NWChem 6.6.
One important step to address this performance issues is to adopt the MPI-PR ARMCI_NETWORK.

My suggestion to you is download NWChem 6.6 and compile it with ARMCI_NETWORK=MPI-PR