[gmx-users] invalid number of nodes
ckutzne at gwdg.de
Wed Aug 13 17:06:34 CEST 2008
Berk Hess wrote:
> In the CVS version the fourier grid is no longer required to be
> divisible by the number of processors.
> But in the other mail you had fourier_nz set to zero, which is complete
grompp (at least 3.3.x) will use fourierspacing for each direction that
has a fourier_n* value of 0, so why not set fourier_nz = 0?
> From: regafan at hotmail.com
> To: gmx-users at gromacs.org
> Subject: RE: [gmx-users] invalid number of nodes
> Date: Wed, 13 Aug 2008 14:12:04 +0000
> Anyway, in the new version of Gromacs, the -np option of grompp does not
> work, does it?
The -np flag does not work any more in CVS since it is no longer needed.
The atoms are now divided over the nodes in mdrun, in 3.3. this was done
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