[gmx-users] invalid number of nodes

Carsten Kutzner ckutzne at gwdg.de
Wed Aug 13 17:06:34 CEST 2008

Berk Hess wrote:
> Hi,
> 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 
> nonsens.
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
by grompp.


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