From 7a22b8aa621528327637ab3bc159b467db9c7478 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 14 Nov 2018 05:29:26 -0500 Subject: [PATCH] check only in currently added data file atoms for dihedral overflow --- src/read_data.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/read_data.cpp b/src/read_data.cpp index 26c406c1d6..1dbb9506c6 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -1435,7 +1435,7 @@ void ReadData::dihedrals(int firstpass) if (firstpass) { int max = 0; - for (int i = 0; i < nlocal; i++) max = MAX(max,count[i]); + for (int i = nlocal_previous; i < nlocal; i++) max = MAX(max,count[i]); int maxall; MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); if (addflag == NONE) maxall += atom->extra_dihedral_per_atom;