GROMACS version: 2019
GROMACS modification: Yes/No
Here post your question
The PC has GPU Nvidia GTX 1080 graphic card. It has CentOS 7 and I have installed CUDA 11.2 (version). Then started installing Gromacs 2019, by below commands
cd gromacs-2019
mkdir build
cd build
cmake … -DGMX_CUDA_TARGET_SM=“61” -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs2019
make
**Unfortunately, when I give the next command **
make check
** it is showing the following error ( screenshot attached )*
But, if give next command sudo make install , Gromacs is getting installed…
How to solve the above error? Your suggestions will be of great help to me
Thank you