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zyx19840227捐助貴賓 (小有名氣)
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[求助]
LAMMPS編譯
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安裝LAMMPS,選擇的是make tunnison tunnison - 64-bit dual-core Linux cluster, mpic++, OpenMPI-1.1, FFTW2 想請教一下,makefile.tunnison中下列參數(shù)怎么設(shè)置啊, # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = MPI_PATH = MPI_LIB = 這幾個參數(shù)可以不寫嗎,但是FFT的相應(yīng)參數(shù)給出了 # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I$(FFTW_INCLUDE) FFT_PATH = -L$(FFTW_LIB) FFT_LIB = -lfftw 多謝 |

木蟲 (正式寫手)
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我用的是MPICH, 編譯的是g++。 # g++ = RedHat Linux box, g++4, gfortran, MPICH2, FFTW SHELL = /bin/sh # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler CC = g++ CCFLAGS = -g -O DEPFLAGS = -M LINK = g++ LINKFLAGS = -g -O LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # LAMMPS-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I/usr/lib/mpich/include MPI_PATH = -I/usr/lib/mpich/lib MPI_LIB = /usr/lib/mpich/lib/libmpich.a # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -I/usr/include -DFFT_FFTW FFT_PATH = -I/usr/lib FFT_LIB = /usr/lib/libfftw.a |
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