[gmx-users] Looking for longer running, publicly avail use cases

Maureen Chew maureen.chew at oracle.com
Fri Jun 16 20:51:39 CEST 2017


I’ve  built GROMACS 2016.2 on SPARC/Solaris - make check and all 2016.2
regression (simple, complex, kernel, freeenergy, rotation, pdb2gmx, essential
dynamics)  tests pass. 

I’d like to do some performance modelling around trying different 
number of openmp threads, mpi threads and ranks so looking for 
larger use cases with longer runs which might be more amenable 
to many cores/threads and high memory throughput.  

Are there any publicly available tests that I could use?  Accompanying
results for validation would be great too.

Thanks in advance.
—maureen


More information about the gromacs.org_gmx-users mailing list