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虫号: 2644431
注册: 2013-09-10
专业: 生物力学

[求助] 新手安装lammps出问题求帮助

我是lammps新手
在国外集群上安装lammps，用的是openmpi/1.6.3,安装的时候最后出现如下问题
-lreax -lpoems -lmeam  -lmpi  -lpthread /apps/fftw3/3.3.3/lib/libfftw3.a -ljpeg -lifcore -lsvml -lompstub -limf -lgfortran  -lstdc++ -o ../lmp_linux
/usr/bin/ld: cannot find -lompstub
make[1]: *** [../lmp_linux] Error 1
make[1]: Leaving directory `/home/552/dxl552/xu/lammps-14Nov12/src/Obj_linux'
make: *** [linux] Error 2
下面是我的Makefile.linux文件
# linux = RedHat Linux box, Intel icc, MPICH2, FFTW

SHELL = /bin/sh

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

CC = icc
CCFLAGS = -O
SHFLAGS = -fPIC
DEPFLAGS = -M

LINK = icc
LINKFLAGS = -O
LIB =          -lstdc++
SIZE = size

ARCHIVE = ar
ARFLAGS = -rc
SHLIBFLAGS = -shared

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

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

LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG

# 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 =    -I/apps/openmpi/1.6.3/include/
MPI_PATH =    -L/apps/openmpi/1.6.3/lib/
MPI_LIB = -lmpi  -lpthread

# 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 -I/apps/fftw3/3.3.3/include
FFT_PATH = -L/apps/fftw3/3.3.3/lib
FFT_LIB = /apps/fftw3/3.3.3/lib/libfftw3.a

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

JPG_INC =
JPG_PATH =
JPG_LIB = -ljpeg

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

include Makefile.package.settings
include Makefile.package

EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)

# 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)
sinclude $(DEPENDS)

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