[gmx-users] Number of Compute Nodes in Gromacs Expanded Ensemble Simulations

Andreas Mecklenfeld a.mecklenfeld at tu-braunschweig.de
Thu Jun 18 10:46:07 CEST 2015


Hi,

I'm new to expanded ensemble simulations in Gromacs. Is there any rule 
of thumb for the most efficient number of compute nodes?

Thanks in advance
Andreas

-- 
M. Sc. Andreas Mecklenfeld
Stipendiat

Technische Universität Braunschweig
Institut für Thermodynamik
Hans-Sommer-Straße 5
38106 Braunschweig
Deutschland / Germany

Tel: +49 (0)531 391-2634
Fax: +49 (0)531 391-7814

http://www.ift-bs.de



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