Re: [gmx-users] Regarding Performance Tuning for GROMACS

2014-07-17 Thread Szilárd Páll
Hi, Benchmarking and tuning is generally quite machine-specific, but you could have a look at this great work done by Carsten Kutzner on SuperMUC: http://www.mpibpc.mpg.de/11832367/kutzner13talk-Parco.pdf https://www.mpibpc.mpg.de/14613164/Kutzner_2014_ParCo-conf2013.pdf On Thu, Jul 17, 2014 at 7

Re: [gmx-users] Regarding Performance Tuning for GROMACS

2014-07-17 Thread Justin Lemkul
On 7/17/14, 12:39 PM, vidhya sankar wrote: Hai Justin Thank you for your Previous Reply Is there is Any Restrictions in usage of Number of Processor (in Clustering ) for Performance Tuning in gromacs 4 and After Version. especially when i use PME When I surf I got the Following Link http:/

[gmx-users] Regarding Performance Tuning for GROMACS

2014-07-17 Thread vidhya sankar
Hai Justin Thank you for your Previous Reply Is there is Any Restrictions in usage of Number of Processor (in Clustering ) for Performance Tuning in gromacs 4 and After Version. especially when i use PME When I surf I got the Following Link http://www.mpibpc.mpg.de/262136/PosterHuenfeld2009