during compiling obtain this error
[root@…6889… src]# make g++_openmpi
/bin/sh: python-config: command not found
make[1]: Entering directory /opt/lammps-31Mar17/src/Obj_g++_openmpi' make[1]: Leaving directory /opt/lammps-31Mar17/src/Obj_g++_openmpi’
/bin/sh: python-config: command not found
make[1]: Entering directory /opt/lammps-31Mar17/src/Obj_g++_openmpi' mpicxx -g -O3 -DLAMMPS_GZIP -I../../lib/reax -DLMP_PYTHON -I../../lib/poems -I../../lib/mscg/includelink -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I./ -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src --std=c++11 -fopenmp -c ../angle_charmm.cpp cc1plus: error: unrecognized command line option "-std=c++11" make[1]: *** [angle_charmm.o] Error 1 make[1]: Leaving directory /opt/lammps-31Mar17/src/Obj_g++_openmpi’
make: *** [g++_openmpi] Error 2
Al
If you include the KOKKOS package then you need to use a c++11 compatible compiler, i.e. gcc 4.7.2 or higher.
Stan
Hi,
now I’m tring install lammps with g++ and openmpi
this is my makefile
compiler/linker settings
specify flags and libraries needed for your compiler
CC = g++
CCFLAGS = -g -O3
SHFLAGS = -fPIC
DEPFLAGS = -M
LINK = g++
LINKFLAGS = -g -O3
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 -DLAMMPS_MEMALIGN=64
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 = -I/opt/openmpi-1.6.3/include -pthread
MPI_PATH = -L/opt/openmpi-1.6.3/lib
MPI_LIB = -lmpi
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 = -I/usr/local/fftw-3.3.6-pl2/include -DFFT_FFTW3
FFT_PATH = -L/usr/local/fftw-3.3.6-pl2/lib
FFT_LIB = -lfftw3f
Is there a reason you can’t just use the “mpicxx” wrapper instead of “g++”?