[gmx-users] cutoff-scheme in CPU& GPU
wangykoo at gmail.com
Sat May 24 10:01:34 CEST 2014
Recelly I am testing the speed of GMX4.6 on our new supercomputer.
There are two parameters "cutoff-scheme " and "nstlist ".
for GPUs I uesd:
nstlist = 20
I found the speed is fast.
I have tested if I use "cutoff-scheme=Verlet" combined with
"nstlist=20" for CPUs, the speed was pretty fast. Could I use the same
parameter for CPUs?
Institute of Natural Sciences && College of Life Science, Shanghai Jiao
Cell phone: 13621806236.
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