[gmx-users] CMake Error at cmake/gmxManageSimd.cmake:67 (message): Found a compiler flag for AVX2 support, but some other problem exists.

Atila Petrosian atila.petrosian at gmail.com
Sun Sep 4 20:52:57 CEST 2016

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?



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