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 > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- 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
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
