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fix libvdwxc test with cuda

Meisam Tabriz requested to merge meisam.tabriz-develop-patch-65180 into develop

If libvdwxc is not available, even in the GPU version of the code, libvdwxc_init() is called for this test.

Test environment

  • CPU: Intel® Xeon® Platinum 8360Y
  • Libraries: intel/21.2.0 gsl/2.4 libxc/4.3.4 cgal/5.2 cuda/11.2 impi/2021.2 hdf5-serial/1.8.22 metis/5.1 boost/1.74 mkl/2021.2 netcdf-serial/4.4.1 parmetis/4.0 gcc/10
  • Configuration options : maxdim3 openmp mpi cuda sse2 avx
  • Optional libraries : cgal metis mpi2 netcdf parmetis scalapack
  • Architecture : x86_64
  • C compiler : mpiicc (icc)
  • C compiler flags : -O3 -xCORE-AVX512 -qopt-zmm-usage=high -fma -ip -g -traceback
  • C++ compiler : mpiicpc (icpc)
  • C++ compiler flags : -O3 -xCORE-AVX512 -qopt-zmm-usage=high -fma -ip -g -traceback -std=c++14
  • Fortran compiler : mpiifort (ifort) (Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.2.0 Build 20210228_000000)
  • Fortran compiler flags : -O3 -xCORE-AVX512 -qopt-zmm-usage=high -fma -ip -g -traceback -fopenmp
************************** GPU acceleration **************************
Rank 00000 uses device number 00000
Rank 00001 uses device number 00000

Selected device:
      Framework              : CUDA
      Device type            : GPU
      Device vendor          : NVIDIA Corporation
      Device name            : A100-SXM4-40GB
      Cuda capabilities      : 8.0
      Driver version         : 11020
      Device memory          : 40536.188 MiB
      Local/shared memory    : 48.000 KiB
      Max. group/block size  : 1024

**********************************************************************

error

**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* From node =    0
*--------------------------------------------------------------------
* Octopus not compiled with libvdwxc
**********************************************************************
Edited by Meisam Tabriz

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