[gmx-users] MDrun Slow!

[Mark Abraham]

Hi,

Please do check out the install guide for advice on how to build for the
hardware you plan to run on. The defaults will just do the right thing for
you :-)

Mark

On Thu, 29 Aug 2019 at 14:26, Quin K <profiles.ke at gmail.com> wrote:

> 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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