[CP2K-user] [CP2K:20481] Re: install cp2k (+cuda) with spack

[Johann Pototschnig]

This error indicates that the BLAS library is not correctly linked. You 
could check if one is installed. 

On Sunday, July 21, 2024 at 1:40:34 PM UTC+2 jiyuan wei wrote:

> I am trying to install cp2k with spack ：spack install cp2k at 2023.2 +cuda 
> cuda_arch=80 %g... at 11.4.0,  but I got the folowing message errors:
>      897   
>  /tmp/cp2k/spack-stage/spack-stage-libxsmm-1.17-x4l7mtrw2qgvfdzpkm35tqwiqk7cikj7/spack-src/./src/libxsmm_gemm.c:189:(.text.__real_dgemm_+0x5): 
> undefined reference to `dg
>             emm_'
>      898   
>  /home/cp2k/software/spack/opt/spack/linux-ubuntu22.04-broadwell/gcc-11.4.0/binutils-2.42-7zgg7364h4yoad6v2xra76whawb2nb4d/bin/ld: 
> /home/cp2k/software/spack/opt/spack/li
>             
> nux-ubuntu22.04-broadwell/gcc-11.4.0/libxsmm-1.17-x4l7mtrw2qgvfdzpkm35tqwiqk7cikj7/lib/libxsmm.a(libxsmm_gemm.o): 
> in function `__real_sgemm_':
>   >> 899   
>  /tmp/cp2k/spack-stage/spack-stage-libxsmm-1.17-x4l7mtrw2qgvfdzpkm35tqwiqk7cikj7/spack-src/./src/libxsmm_gemm.c:207:(.text.__real_sgemm_+0x5): 
> undefined reference to `sg
>             emm_'
>      900   
>  /home/cp2k/software/spack/opt/spack/linux-ubuntu22.04-broadwell/gcc-11.4.0/binutils-2.42-7zgg7364h4yoad6v2xra76whawb2nb4d/bin/ld: 
> /home/cp2k/software/spack/opt/spack/li
>             
> nux-ubuntu22.04-broadwell/gcc-11.4.0/libxsmm-1.17-x4l7mtrw2qgvfdzpkm35tqwiqk7cikj7/lib/libxsmm.a(libxsmm_gemm.o): 
> in function `__real_dgemv_':
>   >> 901   
>  /tmp/cp2k/spack-stage/spack-stage-libxsmm-1.17-x4l7mtrw2qgvfdzpkm35tqwiqk7cikj7/spack-src/./src/libxsmm_gemm.c:223:(.text.__real_dgemv_+0x5): 
> undefined reference to `dg
>             emv_'
>      902   
>  /home/cp2k/software/spack/opt/spack/linux-ubuntu22.04-broadwell/gcc-11.4.0/binutils-2.42-7zgg7364h4yoad6v2xra76whawb2nb4d/bin/ld: 
> /home/cp2k/software/spack/opt/spack/li
>             
> nux-ubuntu22.04-broadwell/gcc-11.4.0/libxsmm-1.17-x4l7mtrw2qgvfdzpkm35tqwiqk7cikj7/lib/libxsmm.a(libxsmm_gemm.o): 
> in function `__real_sgemv_':
>   >> 903   
>  /tmp/cp2k/spack-stage/spack-stage-libxsmm-1.17-x4l7mtrw2qgvfdzpkm35tqwiqk7cikj7/spack-src/./src/libxsmm_gemm.c:238:(.text.__real_sgemv_+0x5): 
> undefined reference to `sg
>             emv_'
>      904   
>  /tmp/cp2k/spack-stage/spack-stage-cp2k-2023.2-33brzreij54c3gdpzuau3joak6xblxae/spack-src/tools/build_utils/fypp 
> -n /tmp/cp2k/spack-stage/spack-stage-cp2k-2023.2-33brzre
>             
> ij54c3gdpzuau3joak6xblxae/spack-src/src/input/input_keyword_types.F 
> input_keyword_types.F90
>   >> 905    collect2: error: ld returned 1 exit status
>
> What does this message mean?
> And how can I overcome this issue, and install the program?
>

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