[gmx-users] Input files for performance analysis

[Kutzner, Carsten]

Hi,

> On 25 Aug 2015, at 20:23, Sabyasachi Sahoo <ssahoo.iisc at gmail.com> wrote:
> 
> Hello all,
> I have good enough experience in high performance and parallel computing
> and would like to find out bottlenecks in various phases of GROMACS. Can
> anyone please give me links to ready-to run input files of standard
> molecular systems to be simulated for GROMACS (to be run on supercomputers
> with hundreds to thousands of cores) so that I can skip the detailed
> learning of writing individual parameters and focus on results obtained
> from profilers( both internal and external profilers for GROMACS.
> 
> Related study material or latest papers showing such analysis will also
> prove to be immensely helpful.
I can advertise these recent GROMACS papers:

http://dx.doi.org/10.1002/jcc.24030
http://dx.doi.org/10.1007/978-3-319-15976-8_1
http://pubman.mpdl.mpg.de/pubman/item/escidoc:2037317/component/escidoc:2037318/2037317.pdf?mode=download

Carsten

> 
> Thanks in advance!
> 
> -- 
> Yours sincerely,
> Saby
> -- 
> Gromacs Users mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> 
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.