On Jan 10, 2010, at 4:24 PM, Chao Zhang wrote:
Dear GMX-Users,
I'm testing my 256 full hydrated lipid on blue gene. The purpose is to find
out the right number for -npme, as mdrun can not estimate itself
successfully.
You might find g_tune_pme useful, which is available in the git
Dear GMX-Users,
I'm testing my 256 full hydrated lipid on blue gene. The purpose is to find out
the right number for -npme, as mdrun can not estimate itself successfully.
I met the problem that how to match the maxinum allowed number for DD cells
with large number of CPU cores.
My simulation
Chao Zhang wrote:
Dear GMX-Users,
I'm testing my 256 full hydrated lipid on blue gene. The purpose is to find out the right
number for -npme, as mdrun can not estimate itself successfully.
I met the problem that how to match the maxinum allowed number for DD cells
with large number of CPU
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