From e4f62eb64bfabfd3cfd541f5d3b08432f7288d38 Mon Sep 17 00:00:00 2001
From: Daniele Rapetti <5535617+Iximiel@users.noreply.github.com>
Date: Fri, 8 Nov 2024 16:03:29 +0100
Subject: [PATCH] corrected a bug in dual when doing many v somehting that
 don't start from 0

---
 plugins/cudaCoord/Coordination.cu | 15 ++-------------
 1 file changed, 2 insertions(+), 13 deletions(-)

diff --git a/plugins/cudaCoord/Coordination.cu b/plugins/cudaCoord/Coordination.cu
index e29fe72970..6d2e2f4079 100644
--- a/plugins/cudaCoord/Coordination.cu
+++ b/plugins/cudaCoord/Coordination.cu
@@ -559,8 +559,8 @@ getDerivDual (const unsigned natLoop,
               const PLMD::GPU::ortoPBCs<calculateFloat> myPBC,
               const calculateFloat *coordLoop,
               const calculateFloat *coordActive,
-              const unsigned *trueIndexesActive,
               const unsigned *trueIndexesLoop,
+              const unsigned *trueIndexesActive,
               calculateFloat *devOut) {
   // auto sdata = shared_memory_proxy<calculateFloat>();
   // // loading shared memory
@@ -583,18 +583,7 @@ getDerivDual (const unsigned natLoop,
   calculateFloat mydevY = 0.0;
   calculateFloat mydevZ = 0.0;
   calculateFloat mycoord = 0.0;
-  // the previous version used static array for myVirial and d
-  // using explicit variables guarantees that this data will be stored in
-  // registers
-  calculateFloat myVirial_0 = 0.0;
-  calculateFloat myVirial_1 = 0.0;
-  calculateFloat myVirial_2 = 0.0;
-  calculateFloat myVirial_3 = 0.0;
-  calculateFloat myVirial_4 = 0.0;
-  calculateFloat myVirial_5 = 0.0;
-  calculateFloat myVirial_6 = 0.0;
-  calculateFloat myVirial_7 = 0.0;
-  calculateFloat myVirial_8 = 0.0;
+  
   // local calculation aid
   const calculateFloat x = coordActive[X (i)];
   const calculateFloat y = coordActive[Y (i)];