LAMMPS port to ADIOS?

Hi,

Is there a LAMMPS port to the ADIOS library available anywhere? Mainly looking for the atoms dump data, however, the task of porting something to ADIOS seems a bit complex.

Thanks!
Josh

Hi,
  Is there a LAMMPS port to the ADIOS library available anywhere? Mainly
looking for the atoms dump data, however, the task of porting something to
ADIOS seems a bit complex.

what you see is what you get. i don't see any.

if you want to do a *really* good deed, you could write a VMD molfile
plugin for this file format with read and write support.
http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/

that way you could kill multiple birds with the same stone.
LAMMPS can use molfile plugins for writing (and reading via read_dump
and rerun.)
*and* you would gain support in VMD, pymol and other programs that
support molfile plugins.

depending on the level of detail you want to support, you can start
from the existing plugin for LAMMPS dumps (which is quite
sophisticated and can handle rather complex situations) or something
simpler (like the xyzplugin) and then just replace the internals.
these plugins are all serial, so that would keep the programming
effort low.

people have repeatedly asked for HDF5 support, too, but so far nobody
has contributed code to the official version.

axel.

Interesting. Well, I guess I will go along with the port then. I have to try to figure out how much information the dump_atoms stuff is outputting, so I’ll probably have several questions. Once this gets implemented correctly, I’m sure the code could be easily brought into the official source code…

Josh

If you hook to ADIOS, be sure to also port to the HOLA
lib, so LAMMPS can read-in data in a compatible manner …

Steve

PS: actually I know nothing about ADIOS, but I do live in
New Mexico.