Dear all
I am new in MD simulation and want to install lammps in ubuntu, last version of lammps used
and after this steps i got this error:
make yes-all; make no-lib; make mpi
ERROR:
…/intel_preprocess.h:32:2: error: #error Please set -DLAMMPS_MEMALIGN=64 in CCFLAGS for your LAMMPS makefile.
#error Please set -DLAMMPS_MEMALIGN=64 in CCFLAGS for your LAMMPS makefile.
^
make[1]: *** [angle_charmm_intel.o] Error 1
make[1]: Leaving directory `/home/mahdi/Desktop/lammps/lammps-16Feb16/src/Obj_mpi’
make: *** [mpi] Error 2
i checked make file but i do not understand what to do, Please Help me.
Best
John
Make.py (70.9 KB)
Dear all
I am new in MD simulation and want to install lammps in ubuntu, last version
of lammps used
and after this steps i got this error:
make yes-all; make no-lib; make mpi
ERROR:
../intel_preprocess.h:32:2: error: #error Please set -DLAMMPS_MEMALIGN=64 in
CCFLAGS for your LAMMPS makefile.
#error Please set -DLAMMPS_MEMALIGN=64 in CCFLAGS for your LAMMPS makefile.
^
make[1]: *** [angle_charmm_intel.o] Error 1
make[1]: Leaving directory
`/home/mahdi/Desktop/lammps/lammps-16Feb16/src/Obj_mpi'
make: *** [mpi] Error 2
i checked make file but i do not understand what to do, Please Help me.
please read the documentation. how to compile LAMMPS is explained
there in great detail.
for people with little experience in compiling it is highly
recommended. to first try compiling with *no* optional packages
installed. to get the basic procedure sorted out, and then adding
compilations by installing desired packages. if you have general
problem understanding compiling on linux machines, you are advised to
get help from somebody local with the corresponding experience.
the error message you are getting is really self-explanatory after
reading the documentation about compiling LAMMPS properly.
axel.
p.s.: the attached Make.py file has *nothing* to do with the error and
compiling LAMMPS the way you compiled it.