Hi David,
Perfect! I wrote source /apps/AMBER/18/GCC/OPENMPI/amber.sh and it works!
Thanks you so much!
Myriam
David A Case <david.case.rutgers.edu> escribió:
> 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 Tue Oct 27 2020 - 02:00:02 PDT
