| 11:07:21 AM PDT - Mon, Jul 30th 2012 |
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Anjan
The "start mytest" command opens a brand new mytest.db file to be used as run-time database.
More details at
http://nwchemgit.github.io/index.php/Release61:Top-level#START_.2F_RESTART
If no start (or restart line) is present, NWChem looks for a file named "input file name".db (e.g. if
your input file name is nwchem.nw, it will look for nwchem.db file). If the file is present,
NWChem will try a restart operation, i.e. reading the content of the existing file.
If no file is present, a start operation is executed.
I personally prefer to explicitly specify start/restart for better control of what's going on.
Cheers, Edo
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