Mu Yuguang (Dr)
YGMu at ntu.edu.sg
Mon Dec 12 04:44:30 CET 2005
It says the program needs xfig library which is missing here.
One way is to recompile your gromacs code with the switch
Dr. Yuguang Mu
Division of Structural and Computational Biology
School of Biological Sciences
Nanyang Technological University
60 Nanyang Drive
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of 主月 ：）
Sent: Monday, December 12, 2005 11:42 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] PBS
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.
#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
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 !
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