I just changed compiler to mpicxx and i could compile most of the files until i get a error:
make[1]: *** […/lmp_g++] Error 1
make[1]: Leaving directory `/home/yixinluo/lammps/lammps-5Nov10/src/Obj_g++’
make: *** [g++] Error 2
the error codes before this was
fix_reax_bonds.o: In function LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int, _IO_FILE*)': /home/yixinluo/lammps/lammps-5Nov10/src/Obj_g++/fix_reax_bonds.cpp:117: undefined reference to getnsbmax_’
/home/yixinluo/lammps/lammps-5Nov10/src/Obj_g++/fix_reax_bonds.cpp:118: undefined reference to getcutof3_' /home/yixinluo/lammps/lammps-5Nov10/src/Obj_g++/fix_reax_bonds.cpp:146: undefined reference to cbkia_’
/home/yixinluo/lammps/la
and much more, but they all related to LAMMPS_NS
is there something wrong still with my makefile?
here is my new makefile
CC = mpicxx
CCFLAGS = -g -O -DFFT_NONE
DEPFLAGS = -M
LINK = mpicxx
LINKFLAGS = -g -O
LIB =
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
I just changed compiler to mpicxx and i could compile most of the files
until i get a error:
make[1]: *** [../lmp_g++] Error 1
make[1]: Leaving directory `/home/yixinluo/lammps/lammps-5Nov10/src/Obj_g++'
make: *** [g++] Error 2
the error codes before this was
fix_reax_bonds.o: In function `LAMMPS_NS::FixReaxBonds::OutputReaxBonds(int,
_IO_FILE*)':
/home/yixinluo/lammps/lammps-5Nov10/src/Obj_g++/fix_reax_bonds.cpp:117:
undefined reference to `getnsbmax_'
/home/yixinluo/lammps/lammps-5Nov10/src/Obj_g++/fix_reax_bonds.cpp:118:
undefined reference to `getcutof3_'
/home/yixinluo/lammps/lammps-5Nov10/src/Obj_g++/fix_reax_bonds.cpp:146:
undefined reference to `cbkia_'
/home/yixinluo/lammps/la
and much more, but they all related to LAMMPS_NS
is there something wrong still with my makefile?
you seem to have configured the (fortran version) reax
pair style. do you want to use it? if no, just do:
make no-reax
and try compiling again.
if yes, did you compile the reax library in the lib directory?
axel.
woot nice, i get a lmp_g++ executable file!
thanks for your help!