Thank you very much Paul, I got it!
--Original--
From:"ZHANG Cheng"<272699...@qq.com;
Date:Mon, Nov 11, 2019 09:57 PM
Hello,
yes, this is indeed possible (see
http://manual.gromacs.org/current/user-guide/mdrun-features.html#running-multi-simulations
for more information on multi simulations with GROMACS).
It is just the case that the tutorial system is too small to be
correctly distributed with domain
Thank you Paul! I want to use more than one mpi processes for each of the REMD,
would it be possible?
--Original--
From:"ZHANG Cheng"<272699...@qq.com;
Date:Mon, Nov 11, 2019 09:39 PM
Hello,
you have set the -mpi option correctly (I think), but the small test
system used for the tutorial can not be split up over more domains (as
the error message tells you).
The idea of the tutorial are here to run on system for each mpi process.
Are you trying to do the same (and run 12
I am using the same files based onMark Abraham's REMD tutorial, except
using a recent Gromacs version
(gromacs/2019.3).http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/An_introduction_to_replica_exchange_simulations%3A_Mark_Abraham%2C_Session_1B
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