[lammps-users] How to turn off sorting in atom_modify command?

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1

Dear users,

I’m trying to use PRD(Parallel replica dynamics) command. But I encountered unsolved problem that is

“Cannot use PRD with atom_modify sort enabled”

The solution in LAMMPS manual is

“This is a current restriction of PRD. You must turn off sorting, which is enabled by default, via the atom_modify command.”

But I failed to find the way to turn off sorting in atom_modify.

Please let me know If you know the solution.

Thanks in advance

SP

2

Dear users,

I'm trying to use PRD(Parallel replica dynamics) command. But I
encountered unsolved problem that is

"Cannot use PRD with atom_modify sort enabled"

The solution in LAMMPS manual is

"This is a current restriction of PRD. You must turn off sorting,
which is enabled by default, via the atom_modify command."

But I failed to find the way to turn off sorting in atom_modify.

please try setting the sort frequency to 0.

cheers,
   axel.

3

But I failed to find the way to turn off sorting in atom_modify.

atom_modify sort 0 0.0

PRD can't use it, b/c it would mess up the exchange of atoms
between replicas which were sorted differently.

Steve