[gmx-users] mdrun_mpi: error while loading shared libraries: libimf.so: cannot open shared object file: No such file or directory

[Mark Abraham]

----- Original Message -----
From: zhongjin <zhongjin1000 at yahoo.com.cn>
Date: Thursday, July 8, 2010 18:53
Subject: [gmx-users] mdrun_mpi: error while loading shared libraries: libimf.so: cannot open shared object file: No such file or directory
To: gmx-users at gromacs.org

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| > Dear users,
>       When I am using GROMACS 4.0.7 on the Compute node ，executing command: > mpiexec -n 4  mdrun_mpi -deffnm SWNT66nvt >/dev/null &
> and then met a problem :mdrun_mpi: error while loading shared libraries: libimf.so: cannot open shared object file: No such file or directory
> but I have added export LD_LIBRARY_PATH=/opt/intel/fc/10.1.008/lib
> in the .bash_profile, the libimf.so is in this directory. > However,when  executing command:mdrun -deffnm SWNT66nvt &，it's OK ! Anybody could help me? Thanks a lot!

Looks like the either MPI compiler is doing things differently from the normal compiler, or your execution environment does not have access to that /opt path, or even the environment variable. Consider also the use of LD_RUN_PATH - see compiler docs. It also might help to use gcc as the underlying compiler for mpicc - it's about the same as Intel - but that depends on what the underlying problem is.

Mark
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