On Mon, Oct 26, 2020, MYRIAN TORRES RICO wrote:
>I loaded theses modules:
>
>module load atlas/3.10.3
>module load python/2.7.14
>module load amber/18
You will need to talk to whoever created these modules: they may not be
doing everything correctly. Even before doing that, type the following
commands (after you load the modules):
echo $AMBERHOME
edho $PYTHONPATH
From very limited information, it looks like PYTHONPATH is not being set
correctly.
It's also certainly worth at least trying the suggestions made by the
progam, and by me in my earlier email. It may be that all you need to
do is this:
source /apps/AMBER/18/GCC/OPENMPI/amber.sh
It only takes a few seconds to try these things, and if they don't work,
you are no worse off than before.
....dac
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Received on Mon Oct 26 2020 - 18:00:02 PDT
