----- Original Message ----- From: zhongjin <[email protected]> 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: [email protected]
----------------------------------------------------------- | > 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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