| 4:20:51 PM PST - Thu, Dec 20th 2018 |
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I'm attempting to get NWChem to work on a few new Ubuntu 18.04 workstations with MPI support. Installing from .deb packages worked fine, but MPI doesn't work properly.
I've tried compiling it myself, but I can't seem to get it to work properly. I followed the basic instructions from the documentation under "NWChem 6.6 on Ubuntu 14.04" (http://nwchemgit.github.io/index.php/Compiling_NWChem#NWChem_6.6_on_Ubuntu_14.04_.28Trusty_T...), but something appears to be missing. I can't get any runs to complete successfully after compiling.
Can anyone help me to either:
1: Get the .deb installed version of NWChem 6.8.1 to work with MPI on Ubuntu 18.04?
2: Or, compile NWChem properly on Ubuntu 18.04?
Thanks in advance!
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