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cp2k / dbcsr

DBCSR: Distributed Block Compressed Sparse Row matrix library
https://cp2k.github.io/dbcsr/
GNU General Public License v2.0
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Compilation problem when using intel ifort #586

Closed Quark195 closed 2 years ago

Quark195 commented 2 years ago

Dear developers, I ran into a problem compiling the library dbcsr for CP2K. For compilation, I use the intel ifort version 19.1.0.139 compiler. Cmake version 3.22.3. (Ubuntu 21.10). For installation, I used the latest version of dbcsr-2.2.0

CC=mpiicc FC=mpiifort CXX=mpicxx cmake -DBLA_VENDOR=Intel10_64lp_seq ..

After which I am getting an error.

(base) quark@quark-desktop:~/dbcsr_3/dbcsr-2.2.0/build$ source /home/quark/intel/compilers_and_libraries_2020.0.139/linux/bin/compilervars.sh intel64 (base) quark@quark-desktop:~/dbcsr_3/dbcsr-2.2.0/build$ CC=mpiicc FC=mpiifort CXX=mpicxx cmake -DBLA_VENDOR=Intel10_64lp_seq ..-- Using BLAS for Small Matrix Multiplication -- A library with LAPACK API found. CMake Error at cmake/fypp-sources.cmake:9 (message): Failed to find the FYPP preprocessor. Call Stack (most recent call first): src/CMakeLists.txt:3 (include) -- Configuring incomplete, errors occurred! See also "/home/quark/dbcsr_3/dbcsr-2.2.0/build/CMakeFiles/CMakeOutput.log".

Please tell me how to fix the error.

Best regards, Eugene

CMakeOutput.log

alazzaro commented 2 years ago

How are you downloading the library? The error message says that FYPP is missing, so I assume you are using the wrong tar file that doesn't include FYPP as submodule. Please use https://github.com/cp2k/dbcsr/releases/download/v2.2.0/dbcsr-2.2.0.tar.gz

Quark195 commented 2 years ago

I have the install I downloaded from [https://github.com/cp2k/dbcsr/releases/tag/v2.2.0] Your version has been successfully installed. Thank you very much. Best regards, Eugene