[gmx-users] Performance

Ran Friedman ran at hemi.tau.ac.il
Thu Nov 20 16:27:00 CET 2003


Rough data:

1ns simulation of ~22,000 atoms on 8cpu (R12000, 400MHZ) with the gromacs FF, with PME, time step 2fs, takes me 44-48 hours.


ehab at biof.ufrj.br wrote:

> Hi all,
> Please, somebody can tell me how is the time performance of GROMACS in a
> Origin 2000? I just need to know the system size, the time of the simulation
> (like 1ns) and the real time it took to run (like 3 days) on this machine.
> Thanks in advance,
> Elza
> *************************************
> Ludwig Institute for Cancer Research
> Computational Biology Lab
> Sao Paulo-SP - Brazil
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Ran Friedman
Laser laboratory for fast reactions in biology
Department of biochemistry
Faculty of life sciences
Tel-Aviv university

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