Problems with Help and Multithreading

From NWChem

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I am running debian_install_ecce.v.7.3.4-beta in Debian Stretch, with openmpi 2.0.2-2(stable) on my 64-bit Linux platform with an eight thread CPU.

Help is not available although I have edited the site_runtime file to use Firefox (Quantum v- 59.0.2) as the browser.

Further, the number of Processors selection in the ECCE Launcher is not active. Only one thread is being used for a NWChem calculation.

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Have you set up a multi-processor machine using
ecce -admin
?

You will also need to edit the CONFIG.* (in apps/siteconfig) that is created in order to get mpi etc. working properly.

Alternatively, check ~/.ECCE -- look at the MyMachines file, and edit CONFIG.* if needed.
Edited On 4:23:02 PM PDT - Wed, May 2nd 2018 by Ohlincha


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