Re: [gmx-users] Regarding g_tune_pme optimization

2012-11-01 Thread Carsten Kutzner
Hi, On Nov 1, 2012, at 4:13 PM, Venkat Reddy wrote: > Dear all Gromacs users, > > I have *two *questions: > > 1) I have been doing my simulation on a computer having 24 > processors. I issued *g_tune_pme -s *.tpr -launch *command to > directly launch my *mdrun *with the optimized

[gmx-users] Regarding g_tune_pme optimization

2012-11-01 Thread Venkat Reddy
Dear all Gromacs users, I have *two *questions: 1) I have been doing my simulation on a computer having 24 processors. I issued *g_tune_pme -s *.tpr -launch *command to directly launch my *mdrun *with the optimized settings. At the end of optimization, g_tune_pme has given -npme as