From 09680a38573408ddc0ccb51d7fbe883ade626bef Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 17 Apr 2024 01:03:39 -0400
Subject: [PATCH] use MPI_SUM instead of MPI_MAX to work around OpenMPI bug on
 macOS with Apple CPU

---
 src/INTEL/pair_eam_intel.cpp | 2 +-
 src/MANYBODY/pair_eam.cpp    | 2 +-
 src/OPENMP/pair_eam_omp.cpp  | 2 +-
 src/OPT/pair_eam_opt.cpp     | 2 +-
 4 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/INTEL/pair_eam_intel.cpp b/src/INTEL/pair_eam_intel.cpp
index ed92a41a11..3f1f54e3c0 100644
--- a/src/INTEL/pair_eam_intel.cpp
+++ b/src/INTEL/pair_eam_intel.cpp
@@ -657,7 +657,7 @@ void PairEAMIntel::eval(const int offload, const int vflag,
     fix->stop_watch(TIME_HOST_PAIR);
 
   if (EFLAG && (!exceeded_rhomax)) {
-    MPI_Allreduce(&beyond_rhomax, &exceeded_rhomax, 1, MPI_INT, MPI_MAX, world);
+    MPI_Allreduce(&beyond_rhomax, &exceeded_rhomax, 1, MPI_INT, MPI_SUM, world);
     if (exceeded_rhomax) {
       if (comm->me == 0)
         error->warning(FLERR,
diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp
index d1b56a9eae..e4a0155ab9 100644
--- a/src/MANYBODY/pair_eam.cpp
+++ b/src/MANYBODY/pair_eam.cpp
@@ -328,7 +328,7 @@ void PairEAM::compute(int eflag, int vflag)
   }
 
   if (eflag && (!exceeded_rhomax)) {
-    MPI_Allreduce(&beyond_rhomax, &exceeded_rhomax, 1, MPI_INT, MPI_MAX, world);
+    MPI_Allreduce(&beyond_rhomax, &exceeded_rhomax, 1, MPI_INT, MPI_SUM, world);
     if (exceeded_rhomax) {
       if (comm->me == 0)
         error->warning(FLERR,
diff --git a/src/OPENMP/pair_eam_omp.cpp b/src/OPENMP/pair_eam_omp.cpp
index 1d3c7ded3a..56d41973c9 100644
--- a/src/OPENMP/pair_eam_omp.cpp
+++ b/src/OPENMP/pair_eam_omp.cpp
@@ -305,7 +305,7 @@ void PairEAMOMP::eval(int iifrom, int iito, ThrData * const thr)
   }
 
   if (EFLAG && (!exceeded_rhomax)) {
-    MPI_Allreduce(&beyond_rhomax, &exceeded_rhomax, 1, MPI_INT, MPI_MAX, world);
+    MPI_Allreduce(&beyond_rhomax, &exceeded_rhomax, 1, MPI_INT, MPI_SUM, world);
     if (exceeded_rhomax) {
       if (comm->me == 0)
         error->warning(FLERR,
diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp
index 20463515da..96afff4ee5 100644
--- a/src/OPT/pair_eam_opt.cpp
+++ b/src/OPT/pair_eam_opt.cpp
@@ -367,7 +367,7 @@ template <int EVFLAG, int EFLAG, int NEWTON_PAIR> void PairEAMOpt::eval()
   fast_gamma = nullptr;
 
   if (EFLAG && (!exceeded_rhomax)) {
-    MPI_Allreduce(&beyond_rhomax, &exceeded_rhomax, 1, MPI_INT, MPI_MAX, world);
+    MPI_Allreduce(&beyond_rhomax, &exceeded_rhomax, 1, MPI_INT, MPI_SUM, world);
     if (exceeded_rhomax) {
       if (comm->me == 0)
         error->warning(FLERR,