[CP2K:9352] Re: Bulding CP2K with CUDA (Ubuntu 16.04)

[Henrique C. S. Junior]

Dear Andreas, thank you so much! I'll give it a try and hopefully we'll be
using the full power of our machines in no time. :-D

2017-09-06 1:56 GMT-03:00 Andreas Glöss <andreas... at gmail.com>:

> 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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-- 
*Henrique C. S. Junior*
Industrial Chemist - UFRRJ
M. Sc. Inorganic Chemistry - UFRRJ
Data Processing Center - PMP
Visite o Mundo Químico <http://mundoquimico.com.br>
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