Hi,All,
I want to install reax package in a new machine.The system is “openmpi=mpic++, Openmpi, FFTW”.
CC = mpic++
CCFLAGS = -g -O -I/usr/local/OpenMPI-1.4.1-Intel/include\ -DFFT_FFTW -I/home/chenchen/local/include
DEPFLAGS = -M
LINK = mpic++
LINKFLAGS = -g -O -L/usr/local/gcc-4.3.3/lib64 -L/usr/local/OpenMPI-1.4.1-Intel/lib -L/home/chenchen/local/lib
USRLIB = -lstdc++ -lfftw
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
When I built the library of reax, first I used Makefile.gfortran,but there was an error said "command not found’, then I used Makefile.gcc,and then it worked. Then when I built LAMMPS, there was errors,
pair_reax.o(.text+0x296e):/home/chenchen/LAMMPS/lammps-8May10/src/Obj_g++/pair_reax.cpp:1045: undefined reference to cbkenergies_' pair_reax.o(.text+0x297a):/home/chenchen/LAMMPS/lammps-8May10/src/Obj_g++/pair_reax.cpp:1046: undefined reference to cbkenergies_’
pair_reax.o(.text+0x2989):/home/chenchen/LAMMPS/lammps-8May10/src/Obj_g++/pair_reax.cpp:1047: undefined reference to cbkenergies_' pair_reax.o(.text+0x2998):/home/chenchen/LAMMPS/lammps-8May10/src/Obj_g++/pair_reax.cpp:1048: undefined reference to cbkenergies_’
pair_reax.o(.text+0x29a7):/home/chenchen/LAMMPS/lammps-8May10/src/Obj_g++/pair_reax.cpp:1049: more undefined references to `cbkenergies_’ follow
I guess it may be due to the fact that I use different compiler to compile reax library and LAMMPS,but I am not sure.If this is the case,how should I fix it?If not,what is the problem? Can anyone help me ?
Thank you!