[CP2K-user] installation of CP2K with support of CUDA

[Jeronimo Abello]

*HI, *

*I am trying to download CP2K on Ubuntu and I get the same error. DId you 
found a way to solve it ?*

*Thanks.*



On Wednesday, 7 August 2019 21:22:31 UTC+10, Nikhil Maroli wrote:
>
>
> Dear all,
>
> Im new here with CP2K.  My system has 3 GPU card (GTC 1070) and 2 x 12 
> core processor.
> All the packages are installed and I have gone for   
>
> ./install_cp2k_toolchain.sh --install-all command and all the files are 
> generated and kept in arch folder.
>
>
> The end results are given below
>
> Done!
> Now copy:
>   cp /home/user2/cp2k-6.1.0/tools/toolchain/install/arch/* to the 
> cp2k/arch/ directory
> To use the installed tools and libraries and cp2k version
> compiled with it you will first need to execute at the prompt:
>   source /home/user2/cp2k-6.1.0/tools/toolchain/install/setup
> To build CP2K you should change directory:
>   cd cp2k/makefiles/
>   make -j 48 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"
>
> arch files for GPU enabled CUDA versions are named "local_cuda.*"
> arch files for valgrind versions are named "local_valgrind.*"
> arch files for coverage versions are named "local_coverage.*"
>
>
> I would like to run CP2K with my GPU+CPU, kindly instruct me what step i 
> need to take further to install GPU version of the software.
>
>
> I have tried
>   make -j 48 ARCH=local_cuda VERSION="sopt sdbg ssmp popt pdbg psmp"
>
> results are here
>
> /home/user2/cp2k-6.1.0/makefiles/Makefile:129: recipe for target 'all' 
> failed
> make[2]: *** [all] Error 2
> /home/user2/cp2k-6.1.0/makefiles/Makefile:118: recipe for target 'pdbg' 
> failed
> make[1]: *** [pdbg] Error 2
> /home/user2/cp2k-6.1.0/makefiles/Makefile:129: recipe for target 'all' 
> failed
> make[2]: *** [all] Error 2
> /home/user2/cp2k-6.1.0/makefiles/Makefile:118: recipe for target 'sdbg' 
> failed
> make[1]: *** [sdbg] Error 2
> Makefile:113: recipe for target 'all' failed
> make: *** [all] Error 2
>
>
>
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