Szilárd, I attached .log file. Can does it mean I can use two graphic cards with this processor to improve calculation? Best regards,Vlad 14.06.2018, 18:14, "Szilárd Páll" :Vlad,Please share your log file(s), it's easier to be concrete about a concrete case.mdrun will by default attempt to use all
Vlad,
Please share your log file(s), it's easier to be concrete about a concrete case.
mdrun will by default attempt to use all resources available, unless
there are some hard limitations that prevent this (e.g. very small
number of atoms can't be decomposed) or there is a reason to believe
that
This here is pretty useful, as it turns out (наконец-то нормальную
документацию написали):
http://www.gromacs.org/Documentation/Acceleration_and_parallelization
Developers tell us that we can get very good performance without
utilizing all CPU threads. Anyway, if you built gmx with all the def
Hey everyone! Could help me somebody, please. I have PC with 8 cores, 16 logical cores and 1 compatible GPU, but gromacs calculates just with 1GPU, 1MPI thread and 8 OpenMP threads. Would it possible for me to use all of 16 logical cores? i7-7820XNvidia Titan Xpgromacs 2018 CUDA=onUbuntu 16.04 -- T
