[gmx-users] Parallel run error

[Anton Feenstra]

M.Naser wrote:

> Hi Itamar !
> 
> Thanks for your response. It is still crashing.
> 
> Please give me some hint about likley problems.

With the little info you gave till now, it's still guessing...!

As David asked, can you run it on a single CPU?

Did it even start (e.g. did you get the usual gromacs intro message
printed on screen)?

Did you get any output from mdrun at all (e.g., md0.log)?

If so, how far along did you simulation (or minimization) get?
No steps, a few steps, a few ps, a few ns?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "If You See Me Getting High, Knock Me Down" (RHCP)    |
|_____________|_______________________________________________________|