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biowerkzeug •OpenMP numthreads option with MC simulations
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OpenMP numthreads option with MC simulations

Posted: Wed Aug 06, 2008 10:00 am
by ldav
OpenMP numthreads:
While performing a MC simulation I tried to change the number of threads used, but the speed was never affected [using 0,1,4 or 8]. In fact it seems that Hippo uses the maximum number of threads available on one node regardless the value of 'OpenMP numthreads'. Also, when I tested Hippo on a dual quadcore CPU, the computational time was the same as the one on a single quadcore CPU (using OpenMP numthreads = 0). Is the number of threads used only limited to one core (i.e. 4 CPUs here)?

Re: OpenMP numthreads option with MC simulations

Posted: Thu Aug 07, 2008 3:19 pm
by jakob
Sorry, MC is not parallelized yet. the openMP numthreads is only for MD simulations. MC will be parallelized in the future.