[gmx-users] How do I examine the results didn't write issue

[lina]

On Mon, Sep 12, 2011 at 8:35 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> On 12/09/2011 10:23 PM, lina wrote:
>
>> Hi,
>>
>> I am confused, why the job is running,
>>
>> but they did not write the .edr, .log .xtc ... files.
>>
>> Everything showed so normal, just not writing,
>>
>> when I used thread, all is fine, the writing is normal.
>>
>> just use mpi, I tried different nodes, still not work, now two hours
>> later, still no writing, just running.
>>
>
> If you can run mdrun_threads -np 4 and get output and your mpirun -np 4
> mdrun_mpi does not write output, then there must be something wrong with
> your MPI environment. Try another MPI program and see what it does.
>

I guess I will drop an email to the administrator.

might be an MPI issue.

Thanks for your time,


> Mark
>
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-- 
Best Regards,

lina
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