I got this error when the commands write_data or write_restart are issued. This happens with version 22 Jul 2025 - Update 4, but not with the current develop (patch_30Mar2026-1211-g5af1318e9e). I attach a (rather elaborate) input script to reproduce the error.
reallocate_bug.tgz (115.6 KB)
Please try with this patch:
git show f99ab6954ae99e23f44997a6d8d1b888aa22e3b8
commit f99ab6954ae99e23f44997a6d8d1b888aa22e3b8
gpg: Signature made Fri 08 May 2026 11:50:54 AM EDT
gpg: using RSA key EEA103764C6C633EDC8AC428D9B44E93BF0C375A
gpg: issuer "[email protected]"
gpg: Good signature from "Axel Kohlmeyer <[email protected]>" [ultimate]
Author: Axel Kohlmeyer <[email protected]>
Date: Fri May 8 11:40:36 2026 -0400
ncountmax must remain > 0
diff --git a/src/fix_vector.cpp b/src/fix_vector.cpp
index aa91c21f7a..b3325a8d39 100644
--- a/src/fix_vector.cpp
+++ b/src/fix_vector.cpp
@@ -159,7 +159,8 @@ FixVector::FixVector(LAMMPS *lmp, int narg, char **arg) :
vector = nullptr;
array = nullptr;
- ncount = ncountmax = nindex = 0;
+ ncount = nindex = 0;
+ ncountmax = 1;
if (values.size() == 1)
size_vector = 0;
else
@@ -226,6 +227,7 @@ void FixVector::init()
bigint finalstep = update->endstep / nevery * nevery;
if (finalstep > update->endstep) finalstep -= nevery;
ncountmax = (finalstep - initialstep) / nevery + 1;
+ if (ncountmax <= 0) ncountmax = 1;
if (ncountmax > nmaxval) ncountmax = nmaxval;
if (values.size() == 1)
memory->grow(vector, ncountmax, "vector:vector");
Applied to commit 611ca3b7f8525ba802373b04f9e3d632d515f7e3 and it works. Thanks!
patch -u src/fix_vector.cpp -i /tmp/vector.patch