Re: [AMBER] numpy error with pdb4amber on cluster

From: David A Case <david.case.rutgers.edu>
Date: Fri, 3 Dec 2021 08:01:53 -0500

On Fri, Dec 03, 2021, Vaibhav Dixit wrote:

>Is it possible to have a user-specific installation of ambertools on
>super-computers that doesn't require admin access?

Yes. Nothing in Amber requires admin access. Instead of un-tarring the
file in /home/apps/amber, un-tar in your home directory, and work from
there. Take the miniconda option (using the default python3).

> File
>"/home/apps/amber/tmp/install_gnu/lib/python2.7/site-packages/ParmEd-at20RC5_54.g5702a232fe.dirty-py2.7-linux-x86_64.egg/parmed/utils/pairlist.py",
>line 5, in <module>
> import numpy as np
>ImportError: No module named numpy

What options did you request relating to python and miniconda?

...dac


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Received on Fri Dec 03 2021 - 05:30:02 PST
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