[gmx-users] d.lzm ond 32 cpus

[Florian Haberl]

Hi,

i want to run d.lzm from gromacs benchmark on 32 cpus

d.lzm] > grompp -f pme -shuffle -np 32


Division over nodes in atoms:
     724     722     726     726     726     726     726     726     726     
726     726     726     726     726     726     726     726     726     726     
726     723     726     723     726     723     726     723     726     725     
725     725     722
Fatal error: Shake block crossing node boundaries
constraint between atoms (1444,1446)

so if i would change like http://www.gromacs.org/pipermail/
gmx-users/2004-May/010524.html say, i would get other benchmark results, so 
not really comparable any more, any other solution or does this benchmark 
reached there a limit?

Greetings,

Florian


-- 
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 Florian Haberl                            Universitaet Erlangen/
 Computer-Chemie-Centrum    Nuernberg
                                                      Naegelsbachstr. 25
                                                      D-91052 Erlangen
  Mailto: florian.haberl AT chemie.uni-erlangen.de
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