Hi,
I downloaded the latest version of lammps and am a newbie.
I am trying to create a dislocation in lammps for Magnesium
using the MEAM potential. However i face a peculiar problem
that lammps hangs after the following message:
Hi,
I downloaded the latest version of lammps and am a newbie.
which version *exactly* does "the latest version" refer to here?
LAMMPS follows a "continuous updates" development mode, and there are
patches released frequently, sometimes daily, thus "latest version" is
a moving target.
it often also matters what platform you are running on and whether you
are running in parallel or serial, and if parallel with how many
processors.
I am trying to create a dislocation in lammps for Magnesium
using the MEAM potential. However i face a peculiar problem
that lammps hangs after the following message:----
delete_atoms overlap 1 all all compress yes
System init for delete_atoms ...
i cannot reproduce this with my current version (3 May 2016) on a
64-bit x86 Linux machine using 8 processors.
since you didn't provide the specific MEAM parameters file, i had to
modify your input to use an EAM/fs potential for Mg instead, though.
mind you, that your input is complex and takes a lot of time to
complete. it is typically much appreciated, if you can reduce the
system size and number of simulation steps required in order to
trigger the problematic part of the input more quickly.
[...]
The log file seems to suggests that it occurs at the delete_atoms statement
afte rthe step
displace_atoms ledge move 6.12753 0 0 units box
I changed the bin size as i was getting another cna/atom too large warning.
Any suggestions would be helpful. I inherited this input file from someone
who already has ran with an older version (I dont know which version).
i think a first step would be to check two things:
- does it require using the MEAM potential to trigger this problem?
does the stall/segfault go away if you switch to pair_style eam/fs
with the Mg_mm.eam.fs potential from the LAMMPS potentials folder.
- can you reproduce the issue with the very latest patchlevel?
axel.