PyMOL scripting with GPUs on LSF

0

Entering edit mode

1 day ago

noodle ▴ 590

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!

pymol hpc pse lsf structure • 172 views

ADD COMMENT • link updated 16 hours ago by GenoMax 146k • written 1 day ago by noodle ▴ 590

1

Entering edit mode

https://pymol.org/support-platforms.html? does not mention support for GPU's as far as compute goes.

ADD REPLY • link 22 hours ago by GenoMax 146k

0

Entering edit mode

I think this is outdated, we're up to pymol 3 now!

ADD REPLY • link 21 hours ago by noodle ▴ 590

0

Entering edit mode

I don't see any mention of GPU support even with v.3.x: https://pymol.org/support.html?#installation

ADD REPLY • link 16 hours ago by GenoMax 146k

Login before adding your answer.