hi
On Friday 09 December 2005 11:30, 主月 ：） wrote:
> Hievery one!
> I've install the GM without parrel in /home/gromacs_s that have been linked. So i can run it with "mdrun" 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
This libary is missing on your nodes.
type ldd mdrun in the dir where your mdrun is and you see which libaries are linked to this and you can fix it with
installing necessary packets on our nodes.
libXm is an X libraray so other solution is to recompile with " --without-x "
> how can i fix it !
> thanks all!
>
>
>
> 祝
>
> 好
>
> *************************************************
> Ji Qing（吉青）
> Institute of Chemistry, Chinese Academy of Sciences
> （中科院化学所）
> Tel: 0086-10-62562894 ，82618423
> *************************************************
>
>
greetings,
florian
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Florian Haberl Universitaet Erlangen/ Nuernberg
Computer-Chemie-Centrum
Naegelsbachstr. 25
D-91052 Erlangen
Mailto: florian.haberl AT chemie.uni-erlangen.de
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