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Re: [lammps-users] Problem with PPPM
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Re: [lammps-users] Problem with PPPM

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 21 Jun 2017 09:05:42 -0400

On Wed, Jun 21, 2017 at 8:42 AM, <jony.castagna@...6939....> wrote:

Hi there,

  I tried to run the attached input file with1-32 cores, but I get the following error (see also the putput.txt file attached):

“ERROR on proc 1: Out of range atoms - cannot compute PPPMDisp (../pppm_disp.cpp:4300)”


Any idea?

​too infrequent neighbor list updates?​




Best Regards,



Dr Jony Castagna

Sci-Tech Daresbury

Keckwick Lane




Tel.: +44 (0)1925 603682


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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.