[gmx-users] Re: gmx in GPU calculation

[li ming]

Dear all:

I am troubled with this problem: when I run mdrun_openmm fias in GPU
calculation of gmx, I met the following information:

Back Off! I just backed up md.log to md.log.2
Getting Loaded...
Reading file 1.tpr, VERSION 4.0.3 (single precision)
Note: tpx file_version 58, software version 59
Segmentation fault

What does it mean? How can I run the this simulation? Thanks a lot...

     Ming

2009/3/13 li ming <mingli1986 at gmail.com>

> Dear all:
>
> I am troubled with this problem: when I run mdrun_openm faaia in GPU
> calculation of gmx, I met the following information:
>
>  *Back Off! I just backed up md.log to md.log.2*
> **
> *Getting Loaded...*
> **
> *Reading file 1.tpr, VERSION 4.0.3 (single precision)*
> **
> *Note: tpx file_version 58, software version 59*
> **
> *Segmentation fault*
>
>  What does it mean? How can I run the this simulation? Thanks a lot...
>
>       Ming
>



-- 
Ming Li
Institute of Chemistry,Chinese Academy of Sciences
Zhongguancun, Beijing, 100080, P. R. China
Tel: +86-10-13811601014 / 62564829
E-mail: liming at iccas.ac.cn / mingli1986 at gmail.com
...........................................................................................
Knowledge is a city to the building of which every human being brought a
stone.
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