[CP2K-user] [CP2K:19809] gpu support for FIST module in cp2k
jiaming li
ljiaming19 at gmail.com
Thu Jan 25 09:04:44 UTC 2024
Dear all,
I am wondering whether cp2k support GPU acceleration for classical
molecular dynamics (FIST moulde). I tried to use cp2k cuda version with
fist module to run classical MD simulation but seems like gpu does not have
any contribution.
Jiaming
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