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ultimatile/cmake_qe.sh

Last active February 5, 2023 16:24
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Building Quantum ESPRESSO by CMake
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cmake_qe.sh
# with install
# Replace <path to QE source directory> and <path to install directory> with the appropriate paths.
cmake -S <path to QE source directory> -Bbuild -DCMAKE_C_COMPILER=mpicc -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_INSTALL_PREFIX=<path to install directory> -DQE_ENABLE_OPENMP=ON
cmake --build build --target install
# without install
# Replace <path to QE source directory> with the appropriate path.
cmake -S <path to QE source directory> -Bbuild -DCMAKE_C_COMPILER=mpicc -DCMAKE_Fortran_COMPILER=mpif90 -DQE_ENABLE_OPENMP=ON
cmake --build build
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ultimatile commented Jan 25, 2023 •
edited

MPI is enabled and OpenMP is disabled by default.
Use of the GPU requires other settings.

Detailed info about CMake build is here.

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