[CP2K-user] [CP2K:19809] gpu support for FIST module in cp2k

[Krack Matthias]

Dear Jiaming

Your observation is correct, the CP2K/Fist module is not GPU accelerated.

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of jiaming li <ljiaming19 at gmail.com>
Date: Thursday, 25 January 2024 at 10:06
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:19809] gpu support for FIST module in cp2k
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
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com<mailto:cp2k+unsubscribe at googlegroups.com>.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/e3b45907-68f2-4b96-96f5-30515bdd1859n%40googlegroups.com<https://groups.google.com/d/msgid/cp2k/e3b45907-68f2-4b96-96f5-30515bdd1859n%40googlegroups.com?utm_medium=email&utm_source=footer>.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/ZRAP278MB082756B4C39F70ED67BD61A4F47A2%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240125/bdbd2787/attachment-0001.htm>