NWChem failing to run on IB nodes


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Quote:Miahw Sep 23rd 2:24 am
Hello Edo,

thanks for the quick reply. My host file contains the following two nodes:

nxn25 1 parallel.nextscale.q@nxn25 UNDEFINED
nxn27 1 parallel.nextscale.q@nxn27 UNDEFINED

and I would like to run 16 MPI ranks on each node (32 MPI ranks in total). How should the host file be formatted?

Thanks in advance,
Wadud.

Wadud
I would change the hostfile as following (but I am not 100% sure it will work with you MPI installation,
you should check with whoever installed it)

nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn25
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27
nxn27