Can anybody tell me why I get such big differences in results when computing on a supercomputer with 48 processors compared to standard PC with 4 processors?
Recently, I use lammps to study the relation between contact angle and surface free energy. The input files are the same, but get opposite results ( one is hydrophilic and the other is super-hydrophobic). I know there may be slightly difference when using supercomputer and personal computer because of the parallel algorithm, but I think it couldn’t be so large.
I would very appreciate if anyone could give me some advice.