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zyx19840227

捐助贵宾 (小有名气)

[求助] LAMMPS编译

安装LAMMPS,选择的是make tunnison
tunnison - 64-bit dual-core Linux cluster, mpic++, OpenMPI-1.1, FFTW2

想请教一下,makefile.tunnison中下列参数怎么设置啊,
# 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 =       

这几个参数可以不写吗,但是FFT的相应参数给出了

# 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

多谢
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zyx19840227

捐助贵宾 (小有名气)

补充一点,mpi我用的是openmpi, 集群上的路径为-I/opt/openmpi/bin
youarewhatyouthinkof
2楼2011-06-20 12:34:59
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Bessel

木虫 (正式写手)

【答案】应助回帖

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ghcacj(金币+5): 谢谢,如果求助人能成功编译,酌情奖励EPI 2011-06-20 17:41:53
zyx19840227(金币+10): 多谢 2011-06-20 19:29:50
我用的是MPICH, 编译的是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
3楼2011-06-20 16:16:08
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