[AMBER] Problem with running Python script in AMBER environment.

From: Vishal Singh <vishal.chemistry5.gmail.com>
Date: Thu, 9 Jul 2020 12:21:52 +0530

Dear Amber users
How to run a python script (which import numpy module) in AMBER environment
using pbs script file ? A simple python script (which did not import numpy
module) is running fine using qsub of the pbs script file. I am giving
python path like:
*export
PYTHONPATH=/scf-data/software/AMBER/amber18_intel/lib/python2.7/site-packages/site.py*
but it gives error as

*raise ImportError("Unable to load the necessary modules")ImportError:
Unable to load the necessary modules.*
 Thanks in advance.
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Received on Thu Jul 09 2020 - 00:00:03 PDT
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