From 62a819d7b68d0f2bb67b818fc85b1019c09da62d Mon Sep 17 00:00:00 2001
From: Stan Moore <stamoor@sandia.gov>
Date: Fri, 6 May 2022 13:37:05 -0400
Subject: [PATCH] Tweak launch bounds to improve GPU performance

---
 src/KOKKOS/pair_reaxff_kokkos.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp
index 3bf5c46338..192300d642 100644
--- a/src/KOKKOS/pair_reaxff_kokkos.cpp
+++ b/src/KOKKOS/pair_reaxff_kokkos.cpp
@@ -794,9 +794,9 @@ void PairReaxFFKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
         Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairReaxComputeLJCoulomb<HALF,0>>(0,inum),*this);
     } else if (neighflag == HALFTHREAD) {
       if (evflag)
-        Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagPairReaxComputeLJCoulomb<HALFTHREAD,1>>(0,inum),*this,ev);
+        Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagPairReaxComputeLJCoulomb<HALFTHREAD,1>,Kokkos::LaunchBounds<256,1>>(0,inum),*this,ev);
       else
-        Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairReaxComputeLJCoulomb<HALFTHREAD,0>>(0,inum),*this);
+        Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairReaxComputeLJCoulomb<HALFTHREAD,0>,Kokkos::LaunchBounds<256,1>>(0,inum),*this);
     }
   }
   ev_all += ev;