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: [EMAIL PROTECTED]
To: [email protected]
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.
Carsten
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