sparta

sparta用于DSMC计算，和lammps都是sandia实验室的作品。

因为安装lammps很多遍了，所以安装sparta的时候我确实不知道有没有什么需要提前安装或者特别注意的地方……

下面是我的makefile（Makefile.deepin），放在sparta/src/MAKE目录下：

# openmpi = Linux box, g++, OpenMPI via explicit path

SHELL = /bin/sh

# ---------------------------------------------------------------------
# compiler/linker settings
# specify flags and libraries needed for your compiler

CC =        mpic++
CCFLAGS =    -g -O3 -std=c++11
SHFLAGS =    -fPIC
DEPFLAGS =    -M

LINK =        mpic++
LINKFLAGS =    -g -O3 -std=c++11
LIB = 
SIZE =        size

ARCHIVE =    ar
ARFLAGS =    -rc
SHLIBFLAGS =    -shared

# ---------------------------------------------------------------------
# SPARTA-specific settings
# specify settings for SPARTA features you will use
# if you change any -D setting, do full re-compile after "make clean"

# SPARTA ifdef settings, OPTIONAL
# see possible settings in doc/Section_start.html#2_2 (step 4)

SPARTA_INC =    -DSPARTA_GZIP -DSPARTA_JPEG -DSPARTA_PNG -DSPARTA_FFMPEG

# MPI library, REQUIRED
# see discussion in doc/Section_start.html#2_2 (step 5)
# can point to dummy MPI library in src/STUBS as in Makefile.serial
# INC = path for mpi.h, MPI compiler settings
# PATH = path for MPI library
# LIB = name of MPI library

MPI_INC =     
MPI_PATH =    
MPI_LIB =    

# FFT library, OPTIONAL
# see discussion in doc/Section_start.html#2_2 (step 6)
# can be left blank to use provided KISS FFT library
# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
# PATH = path for FFT library
# LIB = name of FFT library

FFT_INC =        -DFFT_FFTW3
FFT_PATH = 
FFT_LIB = -lfftw3

# JPEG library, OPTIONAL
# see discussion in doc/Section_start.html#2_2 (step 7)
# only needed if -DSPARTA_JPEG listed with SPARTA_INC
# INC = path for jpeglib.h
# PATH = path for JPEG library
# LIB = name of JPEG library

JPG_INC =       
JPG_PATH =     
JPG_LIB =    -ljpeg -lpng

# ---------------------------------------------------------------------
# build rules and dependencies
# no need to edit this section

EXTRA_INC = $(SPARTA_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC)
EXTRA_PATH = $(MPI_PATH) $(FFT_PATH) $(JPG_PATH)
EXTRA_LIB = $(MPI_LIB) $(FFT_LIB) $(JPG_LIB)

# Path to src files

vpath %.cpp ..
vpath %.h ..

# Link target

$(EXE):    $(OBJ)
    $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
    $(SIZE) $(EXE)

# Library targets

lib:    $(OBJ)
    $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)

shlib:    $(OBJ)
    $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
        $(OBJ) $(EXTRA_LIB) $(LIB)

# Compilation rules

%.o:%.cpp
    $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<

%.d:%.cpp
    $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@

# Individual dependencies

DEPENDS = $(OBJ:.o=.d)
include $(DEPENDS)

然后在src目录终端输入：

make deepin -j 4

就搞定了(◕ˇ∀ˇ◕。)