From 745c7089f0cf40162e6b790726f1766cd588379f Mon Sep 17 00:00:00 2001
From: Trung Nguyen <ndactrung@gmail.com>
Date: Fri, 3 Sep 2021 01:00:29 -0500
Subject: [PATCH] Temporarily commented out the section in the Atom class where
 FixGPU finds the optimal bin size. This section makes ev_tally4() in Angle
 different from CPU-only runs, even with a single command "package gpu 1"
 without any gpu pair style. Need more effort to understand why.

---
 src/GPU/fix_gpu.cpp | 2 ++
 src/atom.cpp        | 2 ++
 2 files changed, 4 insertions(+)

diff --git a/src/GPU/fix_gpu.cpp b/src/GPU/fix_gpu.cpp
index 66b938c577..51f36defdc 100644
--- a/src/GPU/fix_gpu.cpp
+++ b/src/GPU/fix_gpu.cpp
@@ -386,6 +386,8 @@ double FixGPU::memory_usage()
   return bytes;
 }
 
+/* ---------------------------------------------------------------------- */
+
 double FixGPU::binsize(const double subx, const double suby,
                        const double subz, const int nlocal,
                        const double cut) {
diff --git a/src/atom.cpp b/src/atom.cpp
index 86e2b1151b..4ad5110ec9 100644
--- a/src/atom.cpp
+++ b/src/atom.cpp
@@ -2274,6 +2274,7 @@ void Atom::setup_sort_bins()
 #ifdef LMP_GPU
   if (userbinsize == 0.0) {
     int ifix = modify->find_fix("package_gpu");
+/*
     if (ifix >= 0) {
       const double subx = domain->subhi[0] - domain->sublo[0];
       const double suby = domain->subhi[1] - domain->sublo[1];
@@ -2297,6 +2298,7 @@ void Atom::setup_sort_bins()
       bininvy = bininv;
       bininvz = bininv;
     }
+*/    
   }
 #endif