| 2:07:20 PM PDT - Mon, Jul 22nd 2013 |
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Hi,
The error message of the second calculation you reported suggests that your calculation might be running out of time. Do you specify how long the calculation is allowed to run? Also system administrators can put runtime limits on the queues (although one would hope that if you ask for more time than the queue allows the job would be rejected at submission). Sometimes useful information is dumped into the error file (look for something of the form *.err). Maybe there is an error file that tells you why the calculation terminated. Whatever it is it does not seem to be an error that was detected by NWChem itself because in that case an error message would have been printed in the output.
Huub
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