Dear all,

I have installed GPU GROMACS 2023 on two PCs, and one is working without errors. However, the other one gives a segmentation fault (core dumped) error during the gmx run. I launched Valgrind to check memory using the following command:

$ valgrind --leak-check=full --show-leak-kinds=all gmx mdrun -deffnm nvt -v

The results are provided in the attached text file.

Please give your valuable advice on how to solve this problem.

Sincerely,

Alisher