GROMACS version: 2025.1
GROMACS modification: No
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I have a bizzar error. I am using a rtx 5070Ti or 5090, and a 3050 for graphics for a laboratory PC. The cpu is an i9 14900KF. If I use the nvidia-570 or 575-open, I can get groamcs to work, however xorg will no longer work through my rtx 3050, with a c/cuda error fighting for the same memory. If I use the nvidia575 or 570, gromacs compiles fine with cuda-12.9, and passes all tests in the check, however on execution, I get
CUDA compiler: /usr/local/cuda-12.9/bin/nvcc nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2025 NVIDIA Corporation;Built on Wed_Apr__9_19:24:57_PDT_2025;Cuda compilation tools, release 12.9, V12.9.41;Build cuda_12.9.r12.9/compiler.35813241_0
CUDA compiler flags: -O3 -DNDEBUG
CUDA driver: 12.90
CUDA runtime: 12.90
Running on 1 node with total 24 cores, 32 processing units (GPU detection failed: invalid device ordinal)
and no GPU detected so it executes on the CPU only. I have the same problems with other software, AMBER as an example. nvidia-smi detects only the rtx 3050 with the nvidia-xxx, but not the 5070…my problem is, does anyone have a workaound or fix for either the graphics working with the open, or running gromacs with the nvidia-575 drivers instead of nvidia-575-open? Also, any new boards I have found disable your ability to choose pci device for display and default to the first device, and the i9 has no graphics, as after reading I found you loose either 4 cores, or have lower performance across all if you use the cpu for graphics, and the cpu graphics are not up to par with current vmd, pymol or varied graphics software. ALSO, why doesn’t it detect the 3050 on the nvidia-575 or 570?