`gmx -version` (base) Tutorial_1 % gmx -version PP task will update and constrain coordinates on the CPU PP tasks will do (non-perturbed) short-ranged interactions on the GPU Mapping of GPU IDs to the 1 GPU task in the 1 rank on this node:
Reading file em.tpr, VERSION 2022.3-Homebrew (single precision) Please use GMX_GPU_DISABLE_COMPATIBILITY_CHECK instead.īack Off! I just backed up em.log to. Working dir: /Users/philipturner/Documents/GROMACS/Tutorial_1Įnvironment variable GMX_OCL_DISABLE_COMPATIBILITY_CHECK is deprecated and will be removed in release 2022.
Molecular Dynamics Simulation Output (base) Tutorial_1 % gmx mdrun -v -deffnm em I was running through a tutorial, and I was able to run GROMACS on my GPU! Very satisfied! I explicitly set the deprecated OCL env variable to assert that it’s checking for GMX_GPU_DISABLE_COMPATIBILITY_CHECK.
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