On Wed, Mar 31, 2021, Jatin Kashyap wrote:
>
>I never did the solution number 3.
>>
>> I would stick with one core, and use parallelization to farm the snapshots
>> out to a number of separate jobs, all running at the same time.
MM-PB/GBSA is completely linear. If you analyze half of your snapshots in
one job, and the other half in a second job, you can just add up the
results. Same for a division of the frames into a smaller number of
subframes.
....dac
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Received on Wed Mar 31 2021 - 05:30:03 PDT
