From d7680dd7852901cf690b3c39472ffa71bb54c824 Mon Sep 17 00:00:00 2001
From: Stan Gerald Moore <stamoor@sandia.gov>
Date: Tue, 7 Jun 2022 10:10:03 -0600
Subject: [PATCH] Fix int32 overflow in Kokkos ReaxFF

---
 src/KOKKOS/pair_reaxff_kokkos.cpp | 2 +-
 src/KOKKOS/pair_reaxff_kokkos.h   | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp
index 7f2477adba..bb6ee0c1f1 100644
--- a/src/KOKKOS/pair_reaxff_kokkos.cpp
+++ b/src/KOKKOS/pair_reaxff_kokkos.cpp
@@ -2628,7 +2628,7 @@ int PairReaxFFKokkos<DeviceType>::preprocess_angular(int i, int itype, int j_sta
 template<class DeviceType>
 template<bool POPULATE>
 KOKKOS_INLINE_FUNCTION
-int PairReaxFFKokkos<DeviceType>::preprocess_torsion(int i, int /*itype*/, int itag,
+int PairReaxFFKokkos<DeviceType>::preprocess_torsion(int i, int /*itype*/, tagint itag,
   F_FLOAT xtmp, F_FLOAT ytmp, F_FLOAT ztmp, int j_start, int j_end, int location_torsion) const {
 
   // in reaxff_torsion_angles: j = i, k = j, i = k;
diff --git a/src/KOKKOS/pair_reaxff_kokkos.h b/src/KOKKOS/pair_reaxff_kokkos.h
index 39b323a0fe..836a2de731 100644
--- a/src/KOKKOS/pair_reaxff_kokkos.h
+++ b/src/KOKKOS/pair_reaxff_kokkos.h
@@ -257,7 +257,7 @@ class PairReaxFFKokkos : public PairReaxFF {
   // Abstraction for counting and populating torsion intermediated
   template<bool POPULATE>
   KOKKOS_INLINE_FUNCTION
-  int preprocess_torsion(int, int, int, F_FLOAT, F_FLOAT, F_FLOAT, int, int, int) const;
+  int preprocess_torsion(int, int, tagint, F_FLOAT, F_FLOAT, F_FLOAT, int, int, int) const;
 
   template<int NEIGHFLAG, int EVFLAG>
   KOKKOS_INLINE_FUNCTION