[gmx-users] Need help with installation of Gromacs-2019.3 with Intell compilers

Lyudmyla Dorosh dorosh at ualberta.ca
Mon Oct 7 21:25:47 CEST 2019


Hello Gromacs Developers/Users,

I'm trying to install Gromacs-2019.3 on Intel Xeon W-2175 with Intel
compilers (+MKL+MPI).
First I compiled cmake with Intel compilers. All output files are attached.
cmake, make seemed to go ok, but all check test failed. What do I do wrong?
https://drive.google.com/file/d/1M8aOaq7ocmK4UOAzcRb5AqWMihIhVtmn/view?usp=sharing

Thank you,

Lyudmyla Dorosh, PhD
------------------------------------------------------------
University of Alberta
Department of Electrical and Computer Engineering,
4-021 ECERF
Edmonton, AB, T6G 2G8
Canada
Email: dorosh at ualberta.ca


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