Re: [AMBER] Adventures installing AMBER 20 in Centos 7

From: David A Case <david.case.rutgers.edu>
Date: Thu, 29 Apr 2021 14:29:49 -0400

On Thu, Apr 29, 2021, Azurmendi, Hugo wrote:

>I just finished installing AMBER 20 on a new Linux and found a few problems
>that I think developers should be aware of. I did a fresh install of Centos
>7 installing the recommended packages for centos with yum. The problems
>were:
>
> 1. For parallel I followed the instructions for Fedora

Can you say a little more about exactly what you did? Did you make any
changes to run_cmake other than setting -DMPI_TRUE? What value did you set
for DO_PARALLEL, and what was the exact command you used to run the tests?

      * It warned that the shell was not csh

I can believe that the amber.csh may not work in all cases, but it would be
more helpful if you could quote the exact error message, since that would
tell us what the value of the "$0" variable is in your case.

...thx...dac


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Received on Thu Apr 29 2021 - 12:00:02 PDT
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