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bugfix

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fixes crash e.g. when building on Ubuntu for Windows
thanks to Márk Jenei (University of Cambridge) for submitting error report
This commit is contained in:
jrgissing
2018-04-18 22:27:12 -06:00
parent 6e31b7da63
commit caa990746e
1 changed files with 4 additions and 4 deletions
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8
src/USER-MISC/fix_bond_react.cpp
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@ -2220,19 +2220,19 @@ void FixBondReact::update_everything()
// all atom-level info (bond,angles, etc...) were kinda inherited from a common data struct --JG // all atom-level info (bond,angles, etc...) were kinda inherited from a common data struct --JG
int Tdelta_bonds; int Tdelta_bonds;
MPI_Allreduce(&delta_bonds,&Tdelta_bonds,1,MPI_LMP_BIGINT,MPI_SUM,world); MPI_Allreduce(&delta_bonds,&Tdelta_bonds,1,MPI_INT,MPI_SUM,world);
atom->nbonds += Tdelta_bonds; atom->nbonds += Tdelta_bonds;
int Tdelta_angle; int Tdelta_angle;
MPI_Allreduce(&delta_angle,&Tdelta_angle,1,MPI_LMP_BIGINT,MPI_SUM,world); MPI_Allreduce(&delta_angle,&Tdelta_angle,1,MPI_INT,MPI_SUM,world);
atom->nangles += Tdelta_angle; atom->nangles += Tdelta_angle;
int Tdelta_dihed; int Tdelta_dihed;
MPI_Allreduce(&delta_dihed,&Tdelta_dihed,1,MPI_LMP_BIGINT,MPI_SUM,world); MPI_Allreduce(&delta_dihed,&Tdelta_dihed,1,MPI_INT,MPI_SUM,world);
atom->ndihedrals += Tdelta_dihed; atom->ndihedrals += Tdelta_dihed;
int Tdelta_imprp; int Tdelta_imprp;
MPI_Allreduce(&delta_imprp,&Tdelta_imprp,1,MPI_LMP_BIGINT,MPI_SUM,world); MPI_Allreduce(&delta_imprp,&Tdelta_imprp,1,MPI_INT,MPI_SUM,world);
atom->nimpropers += Tdelta_imprp; atom->nimpropers += Tdelta_imprp;
} }