PyMOL scripting with GPUs on LSF
Hi Biostars,
I'm wondering if PyMOL should be compatible with GPUs when running from a command line as pymol -c myscript.py, or if there is some specific package or setting that should be updated in the script?
Also if someone is aware of limitations here I'd be grateful to know them.
I'm trying to streamline some structural analysis with HPC/LSF cluster where resources aren't limiting.
Thanks!
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https://pymol.org/support-platforms.html? does not mention support for GPU's as far as compute goes.
I think this is outdated, we're up to pymol 3 now!
I don't see any mention of GPU support even with v.3.x: https://pymol.org/support.html?#installation