[CP2K-user] [CP2K:20814] Compilation Error for GPU-Accelerated ELPA using Toolchain

[Hao Liu]

Dear CP2K Developers,

As I mentioned earlier, I am attempting to compile version 24.3 of CP2K. My 
compilation environment includes the following modules:
Currently Loaded Modulefiles:

   1. compiler/intel/2021.3.0 4) nvidia/cuda/11.3 7) python/3.8.10
   2. mpi/intelmpi/2021.3.0 5) compiler/cmake/3.23.3
   3. mathlib/fftw/3.3.10_intel21_double 6) compiler/gcc/12.2.0
   I encountered the following error:
   /public/software/compiler/intel-compiler/2021.3.0/compiler/include/complex:62:3: 
   error: #error "This Intel is for use only with the Intel C++ compilers!"
   62 | # error "This Intel is for use only with the Intel C++ compilers!"
   | ^~~~~
   /public/software/compiler/intel-compiler/2021.3.0/compiler/include/complex.h:30:3: 
   error: #error "This Intel <complex.h> is for use with only the Intel 
   compilers!"
   30 | # error "This Intel <complex.h> is for use with only the Intel 
   compilers!"
   | ^~~~~
   ifort: command line warning #10148: option '-fno-lto' not supported
   ifort: command line warning #10148: option '-fno-lto' not supported
   It seems that the Intel libraries are being loaded when compiling the 
   NVIDIA version of ELPA. Could you advise on how to avoid this issue? If 
   more information is needed, please let me know.

Best regards,
Hao Liu
Let me know if you'd like any further adjustments!

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