As I doubled the number of processors, the memory usage per processor is almost halved. This was true when I run the provided example file in.melt using our cluster.
However, the parallel running failed with script in.BiTiO. When I doubled my number of processors (from 12 processors to 24 processors), the memory usage per processor is almost constant (40 mb). As a result, I cannot run much larger systems.
I suspect it maybe due to the kspace or some missing package that prevent running parallel properly. Wish someone could give some hints and help.
Thanks in advance
in.BiTiO (1.33 KB)
tempfile1 (44 Bytes)
lammps.pbs (387 Bytes)