Re: [gmx-users] remd jobs failed

2012-10-19 Thread Justin Lemkul
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: -

Re: [gmx-users] remd jobs failed

2012-10-19 Thread 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" wrote: >hello David: > >thanks for kind r

Re: [gmx-users] remd jobs failed

2012-10-18 Thread 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

Re: [gmx-users] remd jobs failed

2012-10-18 Thread Davide Mercadante
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"