[gmx-users] Problem using RTX 2070

Armenio Barbosa aj.barbosa at fct.unl.pt
Wed Jun 5 17:38:24 CEST 2019

Dear Gromacs users,
Does anybody knows why gromacs does not pick the RTX 2070 gpu for
The drivers and CUDA are ok and work with the cuda tests.
The only issue seems to be with Gromacs.
Is there a GPU model compatibility list?
>From what I understood this card should work.
Thank you,


 gmx mdrun -s prot.tpr -v -gpu_id 0
Back Off! I just backed up md.log to ./#md.log.2#
Program:     gmx mdrun, version 2019.2
Source file: src/gromacs/mdrun/runner.cpp (line 531)

Fatal error:
You limited the set of compatible GPUs to a set that included ID #0, but
ID is not for a compatible GPU. List only compatible GPUs.

More information about the gromacs.org_gmx-users mailing list