OK. Since bash is the default most people must use that.
I'm retesting with -np 8 to verify it still happening and I'll get back to you.
Thanks,
Hugo
On 4/29/21, 3:50 PM, "David A Case" <david.case.rutgers.edu> wrote:
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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 - 13:30:02 PDT
