Dear AMBER users and developers,
I am a parallel programming researcher and would like to contribute to
AMBER molecular dynamics software by helping to nail down any bottlenecks
that occur in scaling of the software on multiple CPUs (and probably
improved performance in exa-scale era). I am already in process of
collecting profiling results to identify the phases that can be improved.
Hence, I would request all of you to please suggest me some possible areas
of research, on which we can work on, for better scaling of AMBER, (and/or
MD softwares in general.) You could also direct me to the link on the
website, or any person concerned with this. Any more insight into the
matter will be really appreciated.
Thanks in advance.
--
Yours sincerely,
Sabyasachi Sahoo
Supercomputer Education & Research Center
Indian Institute of Science - Bangalore
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Received on Mon Sep 21 2015 - 10:30:03 PDT
