[AMBER] error in sander and sander.mpi running

From: leila karami <karami.leila1.gmail.com>
Date: Sun, 14 Aug 2016 16:54:31 +0430

Dear amber users,

I am running sander.MPI on Rocks system with queueing. I already have done
parallel run using MPI, but now, there is this error:

/share/apps/amber/amber14/bin/sander.MPI: error while loading shared
libraries: libmpi_cxx.so.1: cannot open shared object file: No such file or
mpirun noticed that the job aborted, but has no info as to the process
that caused that situation.

I added following line in .bashrc file in head of the rocks cluster and
problem was solved:

export LD_LIBRARY_PATH=/opt/openmpi/lib:$LD_LIBRARY_PATH

But when I use queueing system, my problem was not resolved.

Please guide me about that.
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Received on Sun Aug 14 2016 - 05:30:02 PDT
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