Install Issues on Windows 10

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Clicked A Few Times

8:39:33 AM PST - Thu, Mar 1st 2018
UPDATE on Install etc.
It seems that the out files will go into whatever directory from which I start nwchem. Are there any negatives to this where a restart or further processing will be problematic? Finally ( i hope), what tools can be used to visualize the output? I am interested in both the structure and the spectra, particularly proton NMR amd IR. Thanks much for your patince in this. Tim

Forum Vet

2:55:42 PM PST - Thu, Mar 1st 2018
You might want to have a look at this page https://github.com/nwchemgit/nwchem/wiki/Software-supporting-NWChem

Clicked A Few Times

8:33:59 AM PST - Tue, Nov 6th 2018
Similar issues
I installed ubuntu; nwchem running. Directory architecture different with the ubuntu package. Should that have been set up before the sudo apt install nwchem? it works when sudo is used, but fails otherwise? Also, it warns against using sudo for mpirun Any suggestions on fixing these issues, or understanding how to navigate this architecture would be appreciated. I have it working on my mac, so i know i can be successful at the nwchem install. I cannot find any direct discussion topics; the one above is very close to what i am experiences. thx RH

Forum >> NWChem's corner >> Compiling NWChem

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