| 8:38:07 AM PDT - Wed, Jun 4th 2014 |
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Hi Jose,
Assuming the failure was caused by some intermittent problem you should be able to restart this calculation. Before you try that make sure you keep a copy of the essential files (e.g. cd /home/soporte/25MAYO/NWCHEM/29may/; tar -zcf backup.tgz .tmp). Then change the input file by replacing START with RESTART and remove the GEOMETRY block.
After that just start the calculation again. It should continue where it left off.
Let me know if you encounter any problems.
Huub
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