mirror of https://github.com/abinit/abinit.git
71 lines
2.3 KiB
Plaintext
71 lines
2.3 KiB
Plaintext
# ================================================================
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# Configuration file for ABINIT 9 compilation
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#
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# CPU: AMD Milan EPYC 7763
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# GPU: Nvidia A100 SXM4 80 Go
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# Compilers: Nvidia HPC compilers 23.9
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# Libraries: MKL, Cuda
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# ================================================================
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#prefix=${ROOT}/install/${MY_ARCH}/abinit-gpu
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CUDA_PREFIX=${CUDA_HOME}
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# Compilers and flags
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# ========================================
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FC=$FC_MPI
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CC=$CC_MPI
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CXX=$CXX_MPI
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FCFLAGS_EXTRA="-tp=zen3 --fast -fPIC"
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CFLAGS_EXTRA="-tp=zen3"
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CXXFLAGS_EXTRA="-tp=zen3"
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with_optim_flavor="standard"
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fcflags_opt_80_tdep="-O1 -g"
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# Parallel compilation
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# ========================================
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with_mpi="yes"
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enable_mpi_io="yes"
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enable_mpi_inplace="yes"
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enable_openmp="yes"
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enable_openmp_offload="yes"
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# CUDA GPU
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# ========================================
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GPU_ARCH=80
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with_gpu="${CUDA_PREFIX}"
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with_gpu_flavor="cuda-double"
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NVCC="${CUDA_PREFIX}/bin/nvcc"
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NVCC_CFLAGS="-O3 -arch=sm_80 -Xptxas=-v -g --use_fast_math --compiler-options -O3,-fPIC,-DHAVE_CONFIG_H -I${MPI_ROOT}/include"
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GPU_CFLAGS=" -I${CUDA_PREFIX}/include -I${CUDA_PREFIX}/math_libs/include"
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GPU_CPPFLAGS="-I${CUDA_PREFIX}/include -I${CUDA_PREFIX}/math_libs/include"
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GPU_CXXFLAGS="-I${CUDA_PREFIX}/include -I${CUDA_PREFIX}/math_libs/include"
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GPU_FCFLAGS="-I${CUDA_PREFIX}/include -I${CUDA_PREFIX}/math_libs/include"
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GPU_LIBS="-L${CUDA_PREFIX}/math_libs/lib64 -L${CUDA_PREFIX}/lib64 -lcusolver -lcublas -lcublasLt -lcufft -lcudart -lstdc++"
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# Linear Algebra library
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# ========================================
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with_linalg_flavor="mkl"
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LINALG_FCFLAGS="${MKL_FFLAGS}"
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LINALG_LIBS="-L${MKLROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -lmkl_core -lmkl_pgi_thread -lpthread -lm"
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LINALG_LDFLAGS="${LINALG_LIBS}"
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# FFT
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# ========================================
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with_fft_flavor="dfti"
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# NetCDF library
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# ========================================
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with_hdf5="${HDF5_ROOT}"
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with_netcdf="${NETCDFC_ROOT}"
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with_netcdf_fortran="${NETCDFFORTRAN_ROOT}"
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# Additional plugins & libs
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# ========================================
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with_libxc="${BENCH_ROOT}/install/${MY_ARCH}/libxc"
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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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