On 10/19/12 2:37 AM, Albert 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:
-
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" wrote:
>hello David:
>
>thanks for kind r
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
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"
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