Hi All,
I have Beowulf cluster and mpi (from 4 different source gnu/intel/pgi/path) installed on it. I have compiled the lammps using the Makefile.linux (which is already provided with the lammps distribution). When I compile lammps, it compiles perfectly and gives me the executable. However, when I use this compiler to run an example file using following command,
mpirun -np 4 ~/bin/lmp_linux -in in.melt
it runs the 4 identical simulations on different nodes. The output on screen shows that “1 by 1 by 1 processor grid” is used (and every output is printed 4 times on the screen). When I use this following command,
BEOWULF_JOB_MAP=1:1:1:1 mpirun ~/bin/lmp_linux -screen none -in in.melt
it gives me the
– [0] MPI Abort by user Aborting program !
.
What could be the error. Please let me know. Below is the attached Makefile used to compile lammps.
SHELL = /bin/sh
---------------------------------------------------------------------
compiler/linker settings
specify flags and libraries needed for your compiler
CC = icc
CCFLAGS = -O
DEPFLAGS = -M
LINK = icc
LINKFLAGS = -O
LIB = -lstdc++
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
---------------------------------------------------------------------
LAMMPS-specific settings
specify settings for LAMMPS features you will use
LAMMPS ifdef options, see doc/Section_start.html
LMP_INC = -DLAMMPS_GZIP
MPI library, can be src/STUBS dummy lib
INC = path for mpi.h, MPI compiler settings
PATH = path for MPI library
LIB = name of MPI library
MPI_INC = -DMPICH_SKIP_MPICXX
MPI_PATH =
MPI_LIB = -lmpich -lpthread
FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package
INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings
PATH = path for FFT library
LIB = name of FFT library
FFT_INC = -DFFT_FFTW
FFT_PATH =
FFT_LIB = -lfftw
additional system libraries needed by LAMMPS package libraries
these settings are IGNORED if the corresponding LAMMPS package
(e.g. gpu, meam) is NOT included in the LAMMPS build
SYSLIB = names of libraries
SYSPATH = paths of libraries
gpu_SYSLIB = -lcudart
meam_SYSLIB = -lifcore -lsvml -lompstub -limf
reax_SYSLIB = -lifcore -lsvml -lompstub -limf
user-atc_SYSLIB = -lblas -llapack
gpu_SYSPATH = -L/usr/local/cuda/lib64
meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib
reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib
user-atc_SYSPATH =
---------------------------------------------------------------------
build rules and dependencies
no need to edit this section
include Makefile.package
EXTRA_INC = (LMP_INC) (PKG_INC) (MPI_INC) (FFT_INC)
EXTRA_PATH = (PKG_PATH) (MPI_PATH) (FFT_PATH) (PKG_SYSPATH)
EXTRA_LIB = (PKG_LIB) (MPI_LIB) (FFT_LIB) (PKG_SYSLIB)
Link target
(EXE): (OBJ)
(LINK) (LINKFLAGS) (EXTRA_PATH) (OBJ) (EXTRA_LIB) (LIB) -o (EXE)
(SIZE) $(EXE)
Library target
lib: (OBJ) (ARCHIVE) (ARFLAGS) (EXE) $(OBJ)
Compilation rules
.o:.cpp
(CC) (CCFLAGS) (EXTRA_INC) -c <
.d:.cpp
(CC) (CCFLAGS) (EXTRA_INC) (DEPFLAGS) < > @
Individual dependencies
DEPENDS = (OBJ:.o=.d) include (DEPENDS)
Regards
Ateeque