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<pre>Dear Anton and Gromacs users,</pre>
<pre>I haven't performed full comparison, but running on 8 cpu is approximately 60% faster than running on 4 cpu.</pre>
<pre>Ran.</pre>
<pre>Anton Feenstra wrote:</pre>
<blockquote TYPE=CITE>
<pre>Ran Friedman wrote:</pre>
<pre>> Hi,</pre>
<pre>></pre>
<pre>> Rough data:</pre>
<pre>></pre>
<pre>> 1ns simulation of ~22,000 atoms on 8cpu (R12000, 400MHZ) with the gromacs FF, with PME, time step 2fs, takes me 44-48 hours.</pre>
<pre></pre>
<pre>a 22k atom system on 8 CPU's may scale badly. Did you happen to test scaling for</pre>
<pre>your system, by comparing runs on 1, 2, 4 and 8 CPU's? I'd guess that 8 CPU's</pre>
<pre>may be only 20-30% faster than 4 CPU's (but I'd like to know if I'm wrong!).</pre>
<pre></pre>
<pre>> ehab@biof.ufrj.br wrote:</pre>
<pre>></pre>
<pre>>>Please, somebody can tell me how is the time performance of GROMACS in a</pre>
<pre>>>Origin 2000? I just need to know the system size, the time of the simulation</pre>
<pre>>>(like 1ns) and the real time it took to run (like 3 days) on this machine.</pre>
<pre></pre>
<pre>There are benchmarks on www.gromacs.org, surely there is also (something</pre>
<pre>like) an Origin tested, or at least an r12k or r14k machine.</pre>
<pre></pre>
<pre>--</pre>
<pre>Groetjes,</pre>
<pre></pre>
<pre>Anton</pre>
<pre> _____________ _______________________________________________________</pre>
<pre>| | |</pre>
<pre>| _ _ ___,| K. Anton Feenstra |</pre>
<pre>| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |</pre>
<pre>|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |</pre>
<pre>| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |</pre>
<pre>| | Feenstra@chem.vu.nl - www.chem.vu.nl/~feenstra/ |</pre>
<pre>| | "If You See Me Getting High, Knock Me Down" |</pre>
<pre>| | (Red Hot Chili Peppers) |</pre>
<pre>|_____________|_______________________________________________________|</pre>
<pre></pre>
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</blockquote>
<pre></pre>
<pre>--
------------------------------------------------------
Ran Friedman
Laser laboratory for fast reactions in biology
Department of biochemistry
Faculty of life sciences
Tel-Aviv university
972-3-6409824
------------------------------------------------------</pre>
<pre></pre>
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