Hi Marco. Do you see these problems when compiling and
running without your self-made fixes? Perhaps you
could try your experiment again, but this time with
the latest standard LAMMPS distribution. That would
help determine if the problem is with the code you've
added or with the standard package. -Paul
Hi,
this is a quite special question regarding running
lammps under SUSE
linux and using the compiler switch -g.
We are using some self-made fixes, which work
without problems under
Windows, using VC++.
It was also running in principle at the SUSE system,
compiling with gcc
by using the attached makefile. But we had several
crashes due to memory
corruption and MPI also reported crashes due to
corrupted pointers. This
occured mainly when running parallel.
After trying to locate the errors, we just took out
the compiler option
-g (which should be for debugging information).
Without -g everything
seems to run without crashing
Also, the code was not stable for a simulation with
Au/Cu EAM potential
when using a timestep of 0.0027ps, when using the -g
option. Without -g
it workes.
Now, I am a bit puzzled, because running in debug or
optimised mode
should not make a difference to the results of the
simulation
(ok, beside random numerical errors due to finite
digits).
Does anybody has experience with this problem or
knows the reason for
the strange behaviour. This would certainly help to
increase my trust in
the simulation results :-).
Many thanks,
Marco
> # g++ = RedHat Linux box, g++, MPICH, FFTW
SHELL = /bin/sh
#.IGNORE:
# System-specific settings
CC = g++
CCFLAGS = -g -O -I/home/sjplimp/tools/mpich/include
\
-I/home/sjplimp/tools/fftw/include
-I/home/sjplimp/lammps/poems \
-DFFT_FFTW -DGZIP
DEPFLAGS = -M
LINK = g++
LINKFLAGS = -g -O -L/home/sjplimp/tools/mpich/lib \
-L/home/sjplimp/tools/fftw/lib
-L/home/sjplimp/lammps/poems
USRLIB = -lfftw -lmpich -lpoems
SYSLIB =
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
# Link target
\(EXE\): (OBJ)
\(LINK\) (LINKFLAGS) \(OBJ\) (USRLIB) \(SYSLIB\) \-o
(EXE)
\(SIZE\) (EXE)
# Library target
lib: \(OBJ\)
(ARCHIVE) \(ARFLAGS\) (EXE) $(OBJ)
# Compilation rules
\.o:.cpp
\(CC\) (CCFLAGS) -c $<
\.d:.cpp
\(CC\) (CCFLAGS) \(DEPFLAGS\) < > $@
# Individual dependencies
DEPENDS = \(OBJ:\.o=\.d\)
include (DEPENDS)
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