Hi, I'm using the 28 Oct version of Lammps, both on a desktop running
RHEL client release 5.8 and a cluster running RHEL server release 5.3,
Lammps built fine on both with no errors. I'm running a coarse grained
cholesterol system with dipoles so included the packages Dipole and
Molecule.
I made a mistake in my input data file, only specifying 3 atom ids in
the Dihedrals section; whilst on my desktop (predictably), I get the
error "Invalid atom ID in Dihedrals section of data file (atom.cpp:821)"
when I try and run the same incorrect data file on the cluster, I get no
such error and the simulation appears to run to completion. I attach
the data file, input file and the log files.
Just wondered if this difference in error checking was a known issue...
Sophia Wheeler
University of Southampton
data.sys (2.06 KB)
desktop_log.lammps (433 Bytes)
in.cryst (318 Bytes)
iridis_log.lammps (3.36 KB)