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