[gmx-users] REPLY TO ANTON

[Anton Feenstra]

Raj Badhan wrote:
> Apologies Anton,
> That is the problem, we dont specify -np 256, we specify -np 4 
> throught the procedure (the batch files are needed for the 
> supercomputer as it does not allow interactive access)...and we 
> still get this error saying that the input file was designed for 256 
> nodes!!!

Then I am afraid there must be an error in (one of your) script(s).
However, you can also prepare the .tpr file somewhere else, and then
transfer it to your supercomputer and run mdrun there.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
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