| 11:24:58 AM PDT - Fri, Sep 26th 2014 |
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NWCHEM_TOP discrepancy
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I see from your link command that
NWCHEM_TOP=/opt/ZIP/nwchem-6.3_gnu
while your output file shows
NWCHEM_TOP=/opt/ZIP/nwchem-6.3/
(you can spot this from the line
source = /opt/ZIP/nwchem-6.3/
)
One more indication that you have been not running the NWChem binary that you have just created is the output line
program = /nfs/app1/centos6.3/gnu/apps/NWChem/bin/nwchem
The line should read, instead
program = /opt/ZIP/nwchem-6.3_gnu/bin/LINUX64/nwchem
You might want to have a look at the scripts/environment you use to run NWChem to be sure that you do use
/opt/ZIP/nwchem-6.3_gnu/bin/LINUX64/nwchem
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