I am using the latest version of lammps: lammps-30Aug12
with MEAM package included, it builds OK but produces segmentation error
supposedly at application of command “pair_style meam”. Here is the input script
I am using the latest version of lammps: lammps-30Aug12
with MEAM package included, it builds OK but produces segmentation error
supposedly at application of command “pair_style meam”. Here is the input
script
sorry. i cannot reproduce it. the valgrind trace suggests
you may perhaps have a problem with the meam library
that was compiled in an incompatible way with the rest of lammps.
axel.
Nor can I replicate it. I also do not get the Valgrind errors
you list. I suggest you try it first with gfortran (MEAM lib)
and a g++ (non-Intel) compiler for LAMMPS. That has the
best chance of not confusing Valgrind.
Steve
Hello Sergey,
your input script runs fine for me. I tested it with "lammps-30Aug12"
and "library.meam" from that version of LAMMPS.
I suggest to follow what Steve suggested - I am using g++ and gfortran
from gcc-4.5.4.
I attached my "MAKE/Makefile.crockett".
This is what how I compiled LAMMPS with MEAM. I typed
make yes-meam
in the "src" directory, followed by
make -f Makefile.gfortran
in the "lib/meam" direcotry, and then
make crockett
in the "src" directory.
Good luck,
-Bohumir
Makefile.crockett (596 Bytes)
Hello Bohumir,
Thank you for your help. Your suggestion turns out to be useful.
The trouble was (most likely) with extremely outdated mpi library.
The latest version of the linux distribution (Fedora 17 instead of Fedora 7)
solved the problem.
Sergey