From NWChem
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| 10:46:02 AM PST - Wed, Nov 7th 2018 |
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Dafemec,
can you advise on the success of the bionic packages, and suggest what i need to do to fix?
8:03:43 AM PST - Wed, Nov 7th 2018
After installing ubuntu, i used sudo apt install nwchem, successfully. The program runs when sudo is used, and fails when it does not. When i try to use mpirun, it warns not to do that with sudo
platform windows 10 with Windows subsytem for Linux and ubuntu installed
1) Do i need to go back, uninstall nwchem and set environment variables before running sudo apt install nwchem to be able to use MPIRUN
2) Is MPI already installed and i need to change a setting?
3) can i run MIPRUN as sudo- all i am using ubuntu for is nwchem
I cannot match online content with this particular setup. A highlevel order of operations would be appreciated
thanks
Robert
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