Hi,
I'm trying to run nwchem in parallel but facing a lot of issue regarding node distribution. My HPC architecture is 1 node=16 threads.
Using the command mpirun -np 16 nwchem abc.nw I can run nwchem with 16 threads comfortably(with single node). But if I need more nodes I'm trying mpirun -np 32 nwchem abc.nw (2 nodes) command. When I manually checked on each nodes I found that only single node is under usage, other node is staying idle.
Is there any other way I can specify the job distribution with nodes more productively ?
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