[CP2K-user] [CP2K:18284] Build CP2K to support multiple GPU versions

jerryt...@gmail.com jerrytanoury at gmail.com
Tue Jan 3 15:09:29 UTC 2023

Dear Forum,
The computer cluster I use has P100 and V100 GPUs.  I would like to build 
CP2K so it can support BOTH GPU versions, since the scheduler for the 
cluster does not differentiate GPU versions.  If I set GPUVER = 'P100, 
V100' in my arch file, would that provide support for both versions in a 
single build?

Is it even possible to do something like this with CP2K?

Thank you for the help,

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