[gmx-users] GROMACS 2018.x installation

Gregory Poon gpoon at gsu.edu
Fri Aug 31 23:28:22 CEST 2018

Hi all:

I am having trouble installing gromacs-2018.x (x = 1 to 3) on Ubuntu 
18.04.  I invoked


on a simple i7-7700 machine with a GTX-970 GPU.  In both cases, 
everything went until make check, at which point a series of errors on 
failed tests were thrown (linked).  I confirmed that CUDA 9.2 was 
installed via nvidia-smi, but the same errors (as far as I could tell) 
occurred even without the -DGMX_GPU flag, suggesting that it was not 
GPU-related.   My GCC version 7.3.

I had looked through previous posts about difficulty with gromacs-2018.x 
installation butdid not find an obvious connection.

Thanks in advance for going through the log and your insights.



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