| 1:49:32 PM PST - Mon, Jan 7th 2013 |
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Answers
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1) yes, all parts of NWChem are parallel and scalable.
2) yes, NWChem plane wave runs in parallel on many platforms.
3) The information is incomplete, but let me try:
a) Looks like you're running 64-bit. You may want to try and compile without export USE_MPIF4=yes
b) You say it hangs, where does it hang. Having some output that tells us where it hangs would be helpful. Does it hang at start up or somewhere during the calculation?
Bert
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