Partition number from input script

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1

Dear LAMMPS team,

is it possible to obtain partition number as a variable from inside the input script when running LAMMPS in multi-partition mode?

Oleg.

2

Dear LAMMPS team,

is it possible to obtain partition number as a variable from inside the
input script when running LAMMPS in multi-partition mode?

what if you do (assuming 4 partitions) this:

variable part world 1 2 3 4

then ${part} would be the number of the partition.

axel.

3

Yes. Simple. There might also be a patch like this (over current svn version):

Index: src/thermo.h

4

Yes. Simple. There might also be a patch like this (over current svn version):

hmm... i've imported it into LAMMPS-ICMS, but i keep wondering, if it
wouldn't be better to make it a variable function. thermo keywords can
only be accessed after a box is created...

axel.

5

this is also part of today’s 11Nov patch for use with NEB.

thanks,
Steve