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[lammps-users] a problem with making LAMMPS
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[lammps-users] a problem with making LAMMPS


From: 田欢欢 <thh15@...61...>
Date: Wed, 18 Apr 2018 20:13:24 +0800 (GMT+08:00)

Dear LAMMPS developers,

I've successfully installed LAMMPS for three times, but this forth time I got a new error and I'm really confused:
======================================================
g++: error: lmpich: No such file or directory
g++: error: lmpi: No such file or directory
g++: error: lpthread: No such file or directory
g++: error: lfftw3: No such file or directory
Makefile:90: recipe for target '../lmp_mpi' failed
make[1]: *** [../lmp_mpi] Error 1
make[1]: Leaving directory '/usr/local/lammps_16Mar18/src/Obj_mpi'
Makefile:160: recipe for target 'mpi' failed
========================================================

And I'm sure that I write the right paths in Makefile.mpi, as attached to the email. And I've exported these paths to environment variable $PATH. Why g++ cannot find the lib files?

P.S: I configured fftw-3.3.7 in usr/local/fftw3 and configured mpich-3.2.1 in usr/local/mpich3. The LAMMPS version is the latest stable version (18 Mar 2018). Only the packages of KSPACE, MOLECULE,RIGID and MANYBODY were included.

Thanks a lot and looking forward to your reply.

Best,

Huanhuan  







Below is the Makefile.mpi:
================================================================
# mpi = MPI with its default compiler

SHELL = /bin/sh

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

CC = g++
CCFLAGS = -g -O3 
SHFLAGS = -fPIC
DEPFLAGS = -M

LINK = g++
LINKFLAGS = -g -O
LIB = 
SIZE = size

ARCHIVE = ar
ARFLAGS = -rc
SHLIBFLAGS = -shared

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

# LAMMPS ifdef settings
# see possible settings in Section 2.2 (step 4) of manual


LMP_INC = -DLAMMPS_GZIP 

# MPI library
# see discussion in Section 2.2 (step 5) of manual
# MPI wrapper compiler/linker can provide this info
# can point to dummy MPI library in src/STUBS as in Makefile.serial
# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
# INC = path for mpi.h, MPI compiler settings
# PATH = path for MPI library
# LIB = name of MPI library

MPI_INC =       -DMPICH_SKIP_MPICXX -I/usr/local/mpich3/include 
MPI_PATH = -L/usr/local/mpich3/lib 
MPI_LIB = lmpich lmpi lpthread

# FFT library
# see discussion in Section 2.2 (step 6) of manual
# 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/usr/local/fftw3/include
FFT_PATH = -L/usr/local/fftw3/lib 
FFT_LIB = lfftw3

# JPEG and/or PNG library
# see discussion in Section 2.2 (step 7) of manual
# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
# INC = path(s) for jpeglib.h and/or png.h
# PATH = path(s) for JPEG library and/or PNG library
# LIB = name(s) of JPEG library and/or PNG library

JPG_INC =       
JPG_PATH =
JPG_LIB =

# ---------------------------------------------------------------------
# build rules and dependencies
# do not 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)
EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)

# Path to src files

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

# Link target

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

# Library targets

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

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

# Compilation rules

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

# Individual dependencies

depend : fastdep.exe $(SRC)
@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1

fastdep.exe: ../DEPEND/fastdep.c
cc -O -o $@ $<

sinclude .depend