[gmx-users] run g_cover in parallel
itamar.kass at gmail.com
Wed Oct 14 02:20:02 CEST 2009
This is strange, 'cause on the site under installing (using MPI) it is
written "*In GROMACS 4.x, some of the utility programs are also MPI-aware,
but these will only be for compute-intensive utilities (e.g. that
diagonalize large matrices, or calculate autocorrelations, etc.).*".
So I guess there are more parallel things then just MD.
On Wed, Oct 14, 2009 at 10:48 AM, Mark Abraham <Mark.Abraham at anu.edu.au>
> Itamar Kass wrote:
>> I wonder if there a way to run g_cover in paralel in order to make
>> things run faster?
> No. Obviously you can use -dt to reduce the number of frames you analyze.
>> Also, what analysis programs can run in parallel?
> None in 4.0.x. Not sure about future plans.
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