hi all,
this is strictly more a question to LAMMPS
developers, but since i expect most of them
hang out here as well i'll just go ahead.
is somebody here currently actively working on
maintaining the xtc format output in LAMMPS?
i'm currently in the process of adding i/o buffering
to various LAMMPS dump style to improve i/o performance
for really, really large jobs on supercomputer sites
and with networked only file systems (lustre/GPFS etc.)
which are bad at handling many small write requests.
while checking out the options of tuning the xtc dump,
i noticed that this code could be much more adapted
to the LAMMPS style and cleaned up. particularly,
turning the current (gasp) static array of supported
into per class instantiation maintained private variables
and also adding the required XDR subroutines for (NFS-less)
platforms that don't have XDR support in the libc
(e.g. cray xt3/catamount and ibm's blue gene/l).
comments suggestions etc. are much appreciated.
thanks for your attention,
axel.