Dear LAMMPS users,
First, my LAMMPS version is “LAMMPS (7 Aug 2019)”.
Second, I have generated a native-dump LAMMPS file using the dump command which contains the x and y coordinates of non-overlapping two-dim ellipsoidal particles. What matters to me is the x and y coordinates. That file is attached to the this email and is called “lammpstrjxy.dump”. I need it to be read inside another LAMMPS script called “in.ellipse” which is written below and it is meant to compute some physical quantities for ellipsoids inside a simulation box. However, when I run the below script “in.ellipse” in the terminal, there appear an error message telling :
lammpstrjxy.dump (585 KB)
Dear LAMMPS users,
First, my LAMMPS version is “LAMMPS (7 Aug 2019)”.
Second, I have generated a native-dump LAMMPS file using the dump command which contains the x and y coordinates of non-overlapping two-dim ellipsoidal particles. What matters to me is the x and y coordinates. That file is attached to the this email and is called “lammpstrjxy.dump”. I need it to be read inside another LAMMPS script called “in.ellipse” which is written below and it is meant to compute some physical quantities for ellipsoids inside a simulation box. However, when I run the below script “in.ellipse” in the terminal, there appear an error message telling :
“ERROR: Illegal simulation box (src/domain.cpp:403)
Last command: read_dump lammpstrjxy.dump 9000 x y box no format native”.
**********************************************************************************************,
The interpretation of the error message is “The lower bound of the simulation box is greater than the upper bound”. However, in the attached file the simulation box boundaries are consistent such that the lower bounds are always smaller than the upper bounds.
this has nothing to do with the box data in the dump, but the fact, that you have a) shrinkwrap boundary conditions and b) no atoms in your system before calling read_dump.
read_dump will reset the box before reading atom data. but with no atoms, the box will “implode” due to the min/max checks for shrinkwrapping failing. you have to switch to, e.g., “m” boundaries (i.e. shrinkwrap with minimum size) to avoid this.
axel.
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