[gmx-users] CMake Error at cmake/gmxManageSimd.cmake:67 (message): Found a compiler flag for AVX2 support, but some other problem exists.
jalemkul at vt.edu
Sun Sep 4 21:43:28 CEST 2016
On 9/4/16 2:52 PM, Atila Petrosian wrote:
> Dear Justin,
> Thanks for your good guidance (There is only one program now.).
> My previous problem was solved.
> Now, I have another question.
> I used two times following commands for my system (protein):
> gmx_mpi mdrun -v -deffnm npt >& npt_1.job &
> gmx_mpi mdrun -nb gpu -v -deffnm npt >& npt_2.job &
> In both cases, run will finish Mon Sep 5 06:33:19 2016 (same time).
> Run on gpu should faster than that on cpu. Why is not it for me?
> How to find mdrun run on gpu or cpu?
The default for the -nb option is "auto" so if there is a GPU, mdrun will find
it and use it. So probably both of your runs are doing the same thing. Of
course, reading the .log file will tell you exactly what mdrun is doing and why
it is doing it.
Also relevant is
If you want specific help about why you're observing some given
speed/performance, you need to provide actual details about the simulated
system, hardware, etc. and upload full .log files to a file-sharing service
(e.g. pastebin) and provide a URL.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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