| 3:08:20 PM PDT - Tue, May 20th 2014 |
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MSalim
If you download the current development version from the SVN repository with the command
svn checkout https://svn.pnl.gov/svn/nwchem/trunk nwchem
You will be able to install a memory cached version of the MP2 if you set the env. variable
USE_NOIO=1
during the compilation.
No input change is needed for mp2, other than the recommendation of supplying large amount of stack + heap memory.
Cheers, Edo
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