[gmx-users] remd jobs failed

[Davide Mercadante]

Hi Albert, 

Please accept my apologies, I must have misread your e-mail. Effectively
everything seems to be right in the command line and I am not able to
understand either why you get the error.

Good luck.

Cheers,
Davide

On 19/10/12 7:54 PM, "Albert" <mailmd2011 at gmail.com> wrote:

>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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>
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