[gmx-users] PBS

主月 :) jiqing at iccas.ac.cn
Mon Dec 12 04:42:09 CET 2005


Hi every one!
I've install the GM without parrel in /home/gromacs_s that have been linked. So i can run it with "mdrun" on main node directly. But when i use PBS the errors happened.My pbs script is as follows.
#!/bin/sh
###Job name
#PBS -N test

### Output files
#PBS -o test.out
#PBS -e test.err

### Queue name
#PBS -q workq

### CPU number
#PBS -l nodes=1:ppn=1
#JRS -l walltime=2400:00:00

### Script Commands
cd $PBS_O_WORKDIR

mdrun
exit 0

But some error happened that is :
mdrun: error while loading shared libraries: libXm.so.3: cannot open shared object file: No such file or directory

how can i fix it !
thanks all!
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