[gmx-users] Re: wierd behavior of mdrun

[Vitaly V. Chaban]

> I made a .tpr file for my md run without any problems (using the bottom
> mdp file). My job submission script is also the same thing I used for
> other jobs which had no problems. But now when I submit this .tpr file,
> only an empty log file is generated! The qstat of the cluster shows that
> the job is running, also the processors are 100% engaged while I have no
> outputs!

A standard guess: what about trying to run the single-processor job on
the same cluster? Does it run OK?


-- 
Vitaly V. Chaban, Ph.D. (ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua,vvchaban at gmail.com
skype: vvchaban, cell.: +38-097-8259698
http://www-rmn.univer.kharkov.ua/chaban.html
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