install cp2k (+cuda) with spack

[jiyuan wei]

I am trying to install cp2k with spack ：spack install cp2k@2023.2 +cuda cuda_arch=80 %g...@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?

[Johann Pototschnig]

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