lammps 安裝步驟詳解(文件)
【正文】 FFT library, can be DFFT_NONE if not using PPPM from KSPACE package INC = DFFT_FFTW, DFFT_INTEL, DFFT_NONE, etc, FFT piler settings PATH = path for FFT library LIB = name of FFT library FFT_INC = I/opt/fftw/include DFFT_FFTW FFT_PATH = I/opt/ffte/lib FFT_LIB = /opt/fftw/ lfftw additional system libraries needed by LAMMPS package libraries these settings are IGNORED if the corresponding LAMMPS package (. gpu, meam) is NOT included in the LAMMPS build SYSLIB = names of libraries SYSPATH = paths of libraries gpu_SYSLIB = lcudart meam_SYSLIB = lmeam –lgfortran poems_SYSLIB= lpoems lgfortran reax_SYSLIB = lreax lgfortran useratc_SYSLIB = lblas llapack gpu_SYSPATH = L/usr/local/cuda/lib64 meam_SYSPATH = L/mnt/lmp/lib/meam poems_SYSPATH= L/mnt/lmp/lib/poems reax_SYSPATH = L/mnt/lmp/lib/reax useratc_S
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