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

[Carsten Kutzner]

Hi,

you can check with

ldd mdrun_mpi

whether really all needed libraries were found. Is libimf.so in 
/opt/intel/fc/10.1.008/lib ? The intel compilers also come with
files called "iccvars.sh" or "ictvars.sh". If you do

source /path/to/iccvars.sh

everything should be set as needed. Check the Intel Compiler
documentation.

Carsten


On Jul 8, 2010, at 10:52 AM, zhongjin wrote:

> 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!
> Zhongjin He
> 
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--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne




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