[gmx-users] MDrun Slow!

Quin K profiles.ke at gmail.com
Thu Aug 29 14:26:13 CEST 2019


Hi
When I do a mdrun it gives me a message saying,

Compiled SIMD: SSE2, but for this host/run AVX2_256 might be better (see
log).
The current CPU can measure timings more accurately than the code in
gmx mdrun was configured to use. This might affect your simulation
speed as accurate timings are needed for load-balancing.
Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake
option.
Reading file nvt.tpr, VERSION 2018.1 (single precision)
Changing nstlist from 10 to 80, rlist from 1.2 to 1.328

I noticed that mdrun is running very slow how can I use this option and
make the process faster?

*How do I turn GMX_USE_RDTSCP=ON ??*
Thanks in advance
Regards!


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