From bf4f0817d4f85bc22a6f1b3a01b40b8f23b46a6b Mon Sep 17 00:00:00 2001
From: Dan Ibanez <daibane@sandia.gov>
Date: Fri, 31 Mar 2017 15:57:00 -0600
Subject: [PATCH 1/2] fix memory leaks in pair_tabl_rx_kokkos

---
 src/KOKKOS/pair_table_rx_kokkos.cpp | 19 ++++++++++++++-----
 src/USER-DPD/pair_table_rx.cpp      | 10 ++++++++++
 src/USER-DPD/pair_table_rx.h        |  2 +-
 3 files changed, 25 insertions(+), 6 deletions(-)

diff --git a/src/KOKKOS/pair_table_rx_kokkos.cpp b/src/KOKKOS/pair_table_rx_kokkos.cpp
index 044f303bf5..eacaf83cf5 100644
--- a/src/KOKKOS/pair_table_rx_kokkos.cpp
+++ b/src/KOKKOS/pair_table_rx_kokkos.cpp
@@ -147,6 +147,9 @@ PairTableRXKokkos<DeviceType>::PairTableRXKokkos(LAMMPS *lmp) : PairTable(lmp)
   h_table = new TableHost();
   d_table = new TableDevice();
   fractionalWeighting = true;
+
+  site1 = nullptr;
+  site2 = nullptr;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -156,14 +159,21 @@ PairTableRXKokkos<DeviceType>::~PairTableRXKokkos()
 {
   if (copymode) return;
 
+  delete [] site1;
+  delete [] site2;
+
   memory->destroy_kokkos(k_eatom,eatom);
   memory->destroy_kokkos(k_vatom,vatom);
 
+  if (allocated) {
+    memory->destroy_kokkos(d_table->cutsq, cutsq);
+    memory->destroy_kokkos(d_table->tabindex, tabindex);
+  }
+
   delete h_table;
   h_table = nullptr;
   delete d_table;
   d_table = nullptr;
-  copymode = true; //prevents base class destructor from running
 }
 
 /* ---------------------------------------------------------------------- */
@@ -981,6 +991,8 @@ void PairTableRXKokkos<DeviceType>::settings(int narg, char **arg)
 
   for (int m = 0; m < ntables; m++) free_table(&tables[m]);
   memory->sfree(tables);
+  ntables = 0;
+  tables = NULL;
 
   if (allocated) {
     memory->destroy(setflag);
@@ -990,11 +1002,8 @@ void PairTableRXKokkos<DeviceType>::settings(int narg, char **arg)
 
     d_table_const.cutsq = d_table->cutsq = typename ArrayTypes<DeviceType>::t_ffloat_2d();
     h_table->cutsq = typename ArrayTypes<LMPHostType>::t_ffloat_2d();
+    allocated = 0;
   }
-  allocated = 0;
-
-  ntables = 0;
-  tables = NULL;
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/USER-DPD/pair_table_rx.cpp b/src/USER-DPD/pair_table_rx.cpp
index cf85fe2e60..89d09e7322 100644
--- a/src/USER-DPD/pair_table_rx.cpp
+++ b/src/USER-DPD/pair_table_rx.cpp
@@ -47,6 +47,16 @@ enum{NONE,RLINEAR,RSQ,BMP};
 PairTableRX::PairTableRX(LAMMPS *lmp) : PairTable(lmp)
 {
   fractionalWeighting = true;
+  site1 = NULL;
+  site2 = NULL;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairTableRX::~PairTableRX()
+{
+  delete [] site1;
+  delete [] site2;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-DPD/pair_table_rx.h b/src/USER-DPD/pair_table_rx.h
index 9dee5df266..da7889e99a 100644
--- a/src/USER-DPD/pair_table_rx.h
+++ b/src/USER-DPD/pair_table_rx.h
@@ -27,7 +27,7 @@ namespace LAMMPS_NS {
 class PairTableRX : public PairTable {
  public:
   PairTableRX(class LAMMPS *);
-  virtual ~PairTableRX() {}
+  virtual ~PairTableRX();
 
   virtual void compute(int, int);
   void settings(int, char **);

From 5edbd63920681f585b054d4aebf2fb7eb462f5ce Mon Sep 17 00:00:00 2001
From: Dan Ibanez <daibane@sandia.gov>
Date: Fri, 31 Mar 2017 16:03:05 -0600
Subject: [PATCH 2/2] fix memory leak in fix_shardlow_kokkos

---
 src/KOKKOS/fix_shardlow_kokkos.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/KOKKOS/fix_shardlow_kokkos.cpp b/src/KOKKOS/fix_shardlow_kokkos.cpp
index 676df07b61..52287d586c 100644
--- a/src/KOKKOS/fix_shardlow_kokkos.cpp
+++ b/src/KOKKOS/fix_shardlow_kokkos.cpp
@@ -741,6 +741,7 @@ fprintf(stdout, "\n%6d %6d,%6d %6d: "
 );
 #endif
 
+  copymode = 0;
 }
 
 /* ---------------------------------------------------------------------- */