[gmx-users] Input files for performance analysis
ssahoo.iisc at gmail.com
Tue Aug 25 20:23:32 CEST 2015
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.
Thanks in advance!
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