mirror of https://github.com/abinit/abinit.git
62 lines
1.6 KiB
Plaintext
62 lines
1.6 KiB
Plaintext
# ================================================================
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# Configuration file for ABINIT 10.5 compilation
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#
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# CPU: AMD Trento EPYC 7453
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# GPU: AMD Instinct MI250X 64 GB
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# Compilers: Cray Compiling Environment 23.12
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# Libraries: FTTW3, libSCI, HIP+ROCm
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# ================================================================
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#prefix=${ROOT}/install/${MY_ARCH}/abinit-gpu
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ROCM_PREFIX=${ROCM_PATH}
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# Compilers + flags
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# ========================================
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with_optim_flavor="standard"
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# Parallel compilation
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# ========================================
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with_mpi="yes"
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with_debug_flavor="none"
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enable_mpi_io="yes"
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enable_openmp="yes"
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# AMD GPU
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# ========================================
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with_rocm="${ROCM_PREFIX}"
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enable_openmp_offload="yes"
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enable_mpi_inplace="yes"
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GPU_ARCH=gfx90a
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# Linear Algebra library
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# ========================================
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BLAS_PREFIX="$CRAY_LIBSCI_PREFIX_DIR"
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with_linalg="$BLAS_PREFIX"
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LINALG_FCFLAGS="-I${BLAS_PREFIX}/include"
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LINALG_LIBS="-L${BLAS_PREFIX}/lib -lsci_cray"
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# FFTW3
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# ================================
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with_fft_flavor="fftw3"
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with_fftw3="${FFTW_ROOT}"
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FFTW3_CFLAGS="-I${FFTW_ROOT}/include"
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FFTW3_FCFLAGS="-I${FFTW_ROOT}/include"
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FFTW3_CPPFLAGS="-I${FFTW_ROOT}/include"
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FFTW3_LIBS="-L${FFTW_ROOT}/lib -lfftw3 -lfftw3f -lfftw3_threads "
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# NetCDF library
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# ========================================
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with_hdf5="${HDF5_DIR}"
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with_netcdf="${NETCDF_DIR}"
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with_netcdf_fortran="${NETCDF_DIR}"
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# Additional plugins & libs
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# ========================================
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with_libxc="${LIBXC_ROOT}"
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# Miscellaneous options
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# ========================================
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enable_zdot_bugfix="no"
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enable_gw_dpc="yes"
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