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avoid uninitialized data access in case there are no atoms owned by a process

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Axel Kohlmeyer
2024-08-26 21:14:44 -04:00
parent 6e791034f9
commit 2ebe1f019f
1 changed files with 1 additions and 1 deletions
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src/REACTION/fix_bond_react.cpp
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@ -3714,7 +3714,7 @@ int FixBondReact::insert_atoms_setup(tagint **my_update_mega_glove, int iupdate)
tagint *molecule = atom->molecule;
int nlocal = atom->nlocal;
tagint maxmol_all;
tagint maxmol_all = 0;;
for (int i = 0; i < nlocal; i++) maxmol_all = MAX(maxmol_all,molecule[i]);
MPI_Allreduce(MPI_IN_PLACE,&maxmol_all,1,MPI_LMP_TAGINT,MPI_MAX,world);