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

Paul bauer paul.bauer.q at gmail.com
Tue Oct 8 10:21:19 CEST 2019


Hej,

I can't access the repository, so I can't say for certain what happened.
Can you share your cmake command line?

Cheers

Paul

On 07/10/2019 21:25, Lyudmyla Dorosh wrote:
> 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
>

-- 
Paul Bauer, PhD
GROMACS Release Manager
KTH Stockholm, SciLifeLab
0046737308594



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