[gmx-users] Hyper-threading Gromacs 5.0.1
johnny.lu128 at gmail.com
Thu Sep 11 03:52:49 CEST 2014
Is it a good idea to use 48 OpenMP thread, under 1 MPI thread on 24 Xeon
The mail list say such practice give about 8-20% performance increase
Should I try g_tune_pme when I searched for "imbalance" in the log file and
found nothing (24 OMP thread under 1 MPI thread on 24 Xeon Processor)? Or
is that done automatically?
Does gromacs support double precision calculation on GPU if the hardware
The optimize fft option is also obsolete.
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