Running NWChem in parallel


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3:52:42 PM PDT - Thu, Oct 25th 2012
Edoapra,

thanks so much! I finally figured it out. The solution is to

1. sudo dpkg -i nwchem-data_6.1-4_all.deb
2. sudo dpkg -i nwchem_6.1-4_amd64.deb

Note that step 2 produces an error. This can be corrected with sudo dpkg-reconfigure packagename and opening/closing the ubuntu software center.

I am now able to run my calculations about 4x faster than before. Thanks so much!