Error Message from Task 0:: No such file or directory

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NWCHEM_TOP discrepancy
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
Edited On 11:58:29 AM PDT - Fri, Sep 26th 2014 by Edoapra

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sorry for the delay.

Finally I could run successfully after compiling and running from the same location i.e. /nfs/app1/centos6.3/gnu/apps/NWChem

I read some where that once the binaries are compiled, I can move to my desired location and run from there, hence I was compiling from /opt/ZIP/nwchem-6.3_gnu/ however this method never worked for me.

Thanks for all the assistance provided to me for the troubleshooting.


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