[CP2K:9348] Re: Bulding CP2K with CUDA (Ubuntu 16.04)

Andreas Glöss andreas... at gmail.com
Wed Sep 6 04:56:03 UTC 2017


Dear Henrique,

It's quite obvious why you don't see any GPU-usage - your make.log is 
missing all the changes you made, eg. just 'grep' for 'D__ACC'. Either your 
make ignores '+=' declarations, the ordering is wrong (eg. FCFLAGS before 
additional DFLAGS) and/or you edited the wrong ARCH-file. Please try the 
following:

- just add the additional preprocessor flags to the DFLAGS, avoiding '+='
- just add the additional libs to LIBS, avoiding '+='
- recompile using the 'make ARCH=[your_arch_triple] VERSION=[your_version, 
eg. popt]' notation, and check the make.log for your changes

If you still have troubles getting CP2K to use the GPU feel free to attach 
your complete ARCH-file.

Best regards,
Andreas
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