Dear all
My system was equilibrated via LAMMPS 17OCt2012. I am wondering if I can use “write_data” command to get an updated data file and continue the production step of my system via a new version of LAMMPS?
Dear all
My system was equilibrated via LAMMPS 17OCt2012. I am wondering if I can use
"write_data" command to get an updated data file and continue the production
step of my system via a new version of LAMMPS?
this question has been asked and answered a gazillion time. for old
versions of LAMMPS compile the version of restart2data that matches
your LAMMPS version to convert your restart file to a data file. at
some point, this functionality was folded into LAMMPS itself. then you
need to use the LAMMPS version that matches the restart file and the
platform and settings it was generated on. restart files are in
general not portable between versions and platforms. although there is
some limited form of backward compatibility, since changes to the
restart mechanism are very infrequent and often they can be done in a
backward compatible way. but this backward compatibility can be broken
at any point in time.
since the entire source code history of the LAMMPS development since
about october 2006 is available in the subversion and git
repositories, you can always retrieve a version from any point in time
of the development since then.
axel.
You asked about the “write data” command, not the restart2data tool.
I doubt the 2012 version had the write data command, since it is
fairly new.
Steve