[AMBER] very slow implicit simulation on GPU!!!

From: Parviz Seifpanahi Shabane <sparviz.vt.edu>
Date: Fri, 27 Jul 2018 16:15:26 -0400

Dear AMBER user,

I am running a simulation on 1 GPU (GTX980), with almost 4000 atmos with
using implicit water (igb=8) and no cutoff (cut=999). everything works but
the problem is it is very slow (72 ns/day !!!) I used to get 500 ns/day
for the almost same system on the same GPU. Any idea?
Parviz Seifpanahi
Ph.D. Candidate
Department of Physics
Virginia Tech, Blacksburg, Va 24061
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Received on Fri Jul 27 2018 - 13:30:02 PDT
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