I think
export
PYTHONPATH=/scf-data/software/AMBER/amber18_intel/lib/python2.7/site-packages/
*site.py*
should be
export
PYTHONPATH=/scf-data/software/AMBER/amber18_intel/lib/python2.7/site-packages/
Hai
On Thu, Jul 9, 2020 at 2:52 AM Vishal Singh <vishal.chemistry5.gmail.com>
wrote:
> 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 - 15:00:04 PDT
