Re: [gmx-users] gromacs with mps

Hi, It does sound like a CUDA/MPS setup issue, GROMACS uses relatively small amount of GPU memory, so unless you are using a very skinny GPU or a very large input, it's most likely not a GROMACS issue. BTW, have you made sure that your GPUs are not in process-exclusive mode? Cheers, -- Szilárd

[gmx-users] gromacs with mps

Hi Has anyone run gmx_mpi with MPS? Even with small input files (which are working fine when MPS is turned off), I get out of memory error from the GPU device. Don't know if there is a bug inside cuda or gromacs. I see some other related topics for other programs. So, it sound like a cuda