[gmx-users] GROMACS 2018.x installation

[Gregory Poon]

Hi all:

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

cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=on

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.

https://www.dropbox.com/s/yyverbemyzddbsh/g8-3_makecheck.log?dl=0

Gregory