Did you source $AMBERHOME/amber.sh or $AMBERHOME/amber.csh like
'configure' suggests you do before running?
-Dan
On Sun, Aug 14, 2016 at 6:24 AM, leila karami <karami.leila1.gmail.com> wrote:
> Dear amber users,
>
> I am running sander.MPI on Rocks system with queueing. I already have done
> parallel run using MPI, but now, there is this error:
>
> /share/apps/amber/amber14/bin/sander.MPI: error while loading shared
> libraries: libmpi_cxx.so.1: cannot open shared object file: No such file or
> directory
> --------------------------------------------------------------------------
> mpirun noticed that the job aborted, but has no info as to the process
> that caused that situation.
> --------------------------------------------------------------------------
>
> I added following line in .bashrc file in head of the rocks cluster and
> problem was solved:
>
> export LD_LIBRARY_PATH=/opt/openmpi/lib:$LD_LIBRARY_PATH
>
> But when I use queueing system, my problem was not resolved.
>
> Please guide me about that.
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Aug 16 2016 - 08:00:03 PDT
