Dear Amber users!
I have workstation equipped with the core i7 (6 cores) + . GeForce Titat
GTX GPUs'
I'd like to run 2 independent simulation loading each GPU for each
simulated systems.
Using
pmemd.cuda -O -i ./in/md.aa -o md.out -p ionized.prmtop -c npt.restrt -ref
npt.restrt -r md.restrt -x md_sensor_Sperm.trj
I've fully loaded 1 GPU and (only) 1 CPU
obtaining 50ns/day performance for the explicit solvent system consisted of
30k atoms
If I use above command for my second system when the first simulation have
being already run I obtained twice decrease in performance for each system
(25ns/day) because both systems shared first GPU only and the second GPU
was unused.
1) How I could use my second GPU for second system?
2)Does it possible to use 3 CPU cores for each GPU obtaining increase in
performance? Should I use MP for such tasks?
Thanks for help,
James
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Received on Wed May 07 2014 - 03:00:03 PDT
