Re: [gmx-users] Exceeding of Maximum allowed number of DD cells

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 r

Re: [gmx-users] Exceeding of Maximum allowed number of DD cells

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 c

[gmx-users] Exceeding of Maximum allowed number of DD cells

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