[gmx-users] remd jobs failed

[Albert]

hello David:

thanks for kind reply.
The .tpr file was created by grompp in cluster and there is no problem 
for that.

thank you very much
Albert

On 10/19/2012 08:52 AM, Davide Mercadante wrote:
> Hello,
>
> Basically is telling you that the output (.tpr) file that grompp should
> have created is not there to be read.
>
> Check if grompp ran correctly and produced the wanted output. I suspect
> that it may have failed for some reasons.
>
> Hope this helps,
>
> Cheers,
> Davide
>
> On 19/10/12 7:37 PM, "Albert" <mailmd2011 at gmail.com> wrote:
>
>> hello:
>>
>> I am trying to submit replica exchange jobs to cluster by following
>> command, but failed:
>>
>> g_tune_pme_d -x -np 128 mdrun -s remd_.tpr -multi 16 -replex 1000
>> -reseed -1 -launch
>>
>> Here is the log file:
>>
>> -------------------------------------------------------
>> Program g_tune_pme_d, VERSION 4.5.5
>> Source code file: gmx_tune_pme.c, line: 1579
>>
>> Fatal error:
>> File remd_.tpr not found.
>> For more information and tips for troubleshooting, please check the
>> GROMACS
>> website at http://www.gromacs.org/Documentation/Errors
>> -------------------------------------------------------
>>
>>
>> I've got all necessary .tpr file in the same directory (remd_1.tpr,
>> remd_2.tpr ......)
>>
>> thank you very much
>> Albert
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>