[AMBER] performance of pmed.cuda.MPI

From: Jonathan Gough <jonathan.d.gough.gmail.com>
Date: Fri, 14 Sep 2012 14:40:33 -0400

Dear All,

I'm curious if anyone is using a nvidia GTX 690 card. It has 2 cuda cores
on it, and when using pmed.cuda.MPI I am not getting much of a speed bump
when using both cores.

Curious if others have experienced this or if there is something that I am
missing, or maybe this is what to expect. Just asking...

Jonathan

for example - on the benchmarks - using the standard inputs and
pmed.cuda.MPI:

GB-myoglobin
1 core - ns/day = 144.09
2 core - ns/day = 156.14

TRPCage
1 core - ns/day = 698.11
2 core - ns/day = 527.23

Cellulose_prod_NPT
1 core - ns/day = 3.60
2 core - ns/day = 4.39

JAC_production_NPT
1 core - ns/day = 57.33
2 core - ns/day = 67.92

JAC_production_NVE
1 core - ns/day = 72.42
2 core - ns/day = 80.76

FactorIX_production_NPT
1 core - ns/day = 15.57
2 core - ns/day = 18.50
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Received on Fri Sep 14 2012 - 12:00:03 PDT
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