Large Scale Biomolecular Dynamics Simulations - prace
Large Scale Biomolecular Dynamics Simulations - prace
Large Scale Biomolecular Dynamics Simulations - prace
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Blue Gene/P scaling<br />
200<br />
0.43M atoms<br />
60<br />
•Coarse grained system<br />
•Cut-off 2.6 sigma<br />
steps / second<br />
100<br />
3.4M atoms<br />
40<br />
20<br />
steps / second<br />
0<br />
0 512 1024 1536 2048<br />
#cores<br />
0<br />
Amdahl’s law:<br />
•0.43 Matoms on 1024 cores - 28% time in global sum<br />
•3.4 Matoms on 2048 cores: 33% time in global sum<br />
onsdag, 2009 maj 13
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