Per-atom ERROR in newer version of compute reduce

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1

Dear lammps users and developers,
Before 21Nov2023 version, I could track the distance of two atoms in my PairGroup using these computes:

compute LocalPair	PairGroup pair/local dist
compute LocalReduce 	PairGroup reduce min c_LocalPair

In newer version, c_LocalReduce gives this error:

Exception: ERROR: Compute reduce compute LocalPair does not calculate per-atom values (src/compute_reduce.cpp:

Also, the example provided gives the same error:

compute 1 all property/local batom1 batom2
compute 2 all bond/local dist
compute 3 all reduce max c_1[1] c_1[2] c_2 replace 1 3 replace 2 3
ERROR: Compute reduce compute 1 does not calculate per-atom values (src/compute_reduce.cpp:254)
Last command: compute 3 all reduce max c_1[1] c_1[2] c_2 replace 1 3 replace 2 3
Total wall time: 0:00:00

What has changed? how should I address this error?

I’m using LAMMPS 64-bit 7Feb2024-MSMPI with Python in Windows

2

Changes in LAMMPS are documented in the release notes. There are special sections for changes that break backward compatibility. Check out either Latest features & bug fixes in LAMMPS or Releases · lammps/lammps · GitHub

Also, the documentation for individual commands will have a “New in Version …” tag applied to paragraphs describing features that were added at the given version.

3

I got the same error, and I am pretty confident that I resolved it by reading compute reduce command — LAMMPS documentation
and putting:
compute LocalReduce PairGroup reduce min c_LocalPair inputs local

Best,
SLB