copying the mailing list again, so that the conclusion to this issue is included in the mailing list archives.
Dear Dr. Kohlmeyer,
I also found that if the buck_coul_cut is replaced by the lj_cut style,
this read_restart issue will not happen.
So most probably, the issue can be from the pair buck_coul_cut,
however, I already used the unmodified one.
your observation is correct. there is an uninitialized memory access in pair style buck/coul/cut. the following change is needed. this (and some related updates) will be included in the next LAMMPS patch release.
diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp
index 7eecb6212…f9e7c9492 100644
— a/src/pair_buck_coul_cut.cpp
+++ b/src/pair_buck_coul_cut.cpp
@@ -42,7 +42,9 @@ PairBuckCoulCut::PairBuckCoulCut(LAMMPS *lmp) : Pair(lmp)
PairBuckCoulCut::~PairBuckCoulCut()
{
- if (!copymode) {
- if (copymode) return;