[gmx-developers] Minimal Gromacs Version
Mark.Abraham at anu.edu.au
Wed Feb 9 01:42:24 CET 2011
On 9/02/2011 9:07 AM, Roland Schulz wrote:
> for benchmarking purposes I require a minimal MD compute kernel with a
> fast serial PME implementation (in C and Open Source). Does someone
> happen to have a GROMACS version laying around, which is just the
> computer kernel plus the minimal required to run (e.g. reading input)?
> If I need to strip it down myself, what version do you recommend to
> start from? Thus at what version did the neighbor-list and PME
> achieved roughly todays performance? My thinking is if I start with an
> older version I have to remove less to obtain a minimal version.
Off the cuff, I'd guess there's nothing that's significantly improved
serial PME in ages. It's also not hard to compile 3.3.3, 4.0.7 and 4.5.3
to test that assertion :-)
More information about the gromacs.org_gmx-developers