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" <mailmd2...@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
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
