From NWChem
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| 12:43:47 PM PDT - Fri, Oct 5th 2012 |
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Hi Bert,
I tried making the file nwchem.p which is written:
"1000 zip.chem.rochester.edu 4 /usr/bin/nwchem /home/dave/nwchem". I got the userid through the "id" command.
I executed with:
"parallel nwchem optbenzene.nw" but nothing happens. Is this how to set up and use the process group file?
When I try "mpiexec -np 2 nwchem optbenzene.nw > 2.out"
it runs and shows two NWChem processes in top but also shows "nproc = 1" in the output file. The process "hydra_pmi_proxy" runs constantly at 100% whether I am running nwchem or not. I can't kill it with the "kill" command.
and to Edoapra,
I clicked on the links you provided and I got the message "Dependency is not satisfiable: nwchem-data (=6.1-4)".
This is like a comedy of errors lol.
Thanks so much for your assistance!
-Dave
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