[gmx-users] PBS

[Mu Yuguang (Dr)]

It says the program needs xfig library which is missing here.

One way is to recompile your gromacs code with the switch 

--without-X

 

Dr. Yuguang Mu

Division of Structural and Computational Biology

School of Biological Sciences

Nanyang Technological University

60 Nanyang Drive 

Singapore 637551

Tel: 63162885

Fax: 67913856

 

________________________________

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.
#!/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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