azurehpc icon indicating copy to clipboard operation
azurehpc copied to clipboard

GROMAGCS with GPU support

Open lmiroslaw opened this issue 6 years ago • 1 comments

Any chances to provide GPU support for GROMACS? only -DGMX_GPU=ON during the compilation is required + CUDA.

lmiroslaw avatar Sep 23 '19 10:09 lmiroslaw

Thanks for the suggestion. It is not only the CUDA option, but creating a build machine and later a GPU cluster with the right configuration. So doable, but it will require some time.

xpillons avatar Sep 23 '19 12:09 xpillons