[gmx-users] error in gmx-4.0 with mpi

Mark Abraham Mark.Abraham at anu.edu.au
Sat Dec 13 22:52:07 CET 2008


David van der Spoel wrote:
> Vitaly Chaban wrote:
>> Hi,
>> Does anybody have ideas how to fix this?
> 
> Since you are running a prerelease version an upgrade to 4.0.2 would be 
> the first step.

... and the use of 4.0.2 grompp would be second.

Mark



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