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

From: David A Case <david.case.rutgers.edu>
Date: Thu, 29 Apr 2021 15:48:16 -0400

On Thu, Apr 29, 2021, David Case wrote:
>
> * It warned that the shell was not csh

Sorry for my earlier reply -- I should have just tested things out myself!

It indeed looks like an bug in the script. I wonder if you are the only
AmberTools user out there who uses csh(?).

I'll get an update prepared to fix this.

> 1. For parallel I followed the instructions for Fedora

I'm not quite sure why you followed the Fedora instructions rather than the
CentOS instructions:

      https://ambermd.org/InstCentOS.php

This link just states that the openmpi and mpich libraries one gets from
"yum install" don't work with Amber. There are instructions there to build
from source: do this after you have installed the serial code (and hence
have an AMBERHOME environment variable.)

...hope this helps....dac


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Received on Thu Apr 29 2021 - 13:00:03 PDT
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