diff --git a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp
index d8fbe32b9a..adb3c98232 100644
--- a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp
+++ b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp
@@ -219,7 +219,7 @@ void FixACKS2ReaxFFKokkos<DeviceType>::pre_force(int vflag)
   d_ilist = k_list->d_ilist;
 
   nn = list->inum;
-  NN = list->inum + list->gnum;
+  NN = atom->nlocal + atom->nghost;
 
   copymode = 1;
 
@@ -526,7 +526,7 @@ void FixACKS2ReaxFFKokkos<DeviceType>::allocate_array()
   if (efield) get_chi_field();
 
   // init_storage
-  Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagACKS2Zero>(0,NN),*this);
+  Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagACKS2Zero>(0,nn),*this);
 
 }
 
@@ -1378,18 +1378,15 @@ template<class DeviceType>
 void FixACKS2ReaxFFKokkos<DeviceType>::calculate_Q()
 {
 
-  Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagACKS2CalculateQ1>(0,nn),*this);
+  Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagACKS2CalculateQ>(0,nn),*this);
 
-  pack_flag = 2;
-  //comm->forward_comm( this ); //Dist_vector( s );
-  k_s.modify<DeviceType>();
-  k_s.sync<LMPHostType>();
+  pack_flag = 4;
+  //comm->forward_comm( this ); //Dist_vector( q );
+  atomKK->k_q.modify<DeviceType>();
+  atomKK->k_q.sync<LMPHostType>();
   comm->forward_comm(this);
-  k_s.modify<LMPHostType>();
-  k_s.sync<DeviceType>();
-
-  Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagACKS2CalculateQ2>(0,NN),*this);
-
+  atomKK->k_q.modify<LMPHostType>();
+  atomKK->k_q.sync<DeviceType>();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1822,11 +1819,13 @@ void FixACKS2ReaxFFKokkos<DeviceType>::operator() (TagACKS2Norm3, const int &ii,
 
 template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
-void FixACKS2ReaxFFKokkos<DeviceType>::operator() (TagACKS2CalculateQ1, const int &ii) const
+void FixACKS2ReaxFFKokkos<DeviceType>::operator() (TagACKS2CalculateQ, const int &ii) const
 {
   const int i = d_ilist[ii];
   if (mask[i] & groupbit) {
 
+    q(i) = d_s(i);
+
     /* backup s */
     for (int k = nprev-1; k > 0; --k) {
       d_s_hist(i,k) = d_s_hist(i,k-1);
@@ -1848,17 +1847,6 @@ void FixACKS2ReaxFFKokkos<DeviceType>::operator() (TagACKS2CalculateQ1, const in
 
 /* ---------------------------------------------------------------------- */
 
-template<class DeviceType>
-KOKKOS_INLINE_FUNCTION
-void FixACKS2ReaxFFKokkos<DeviceType>::operator() (TagACKS2CalculateQ2, const int &ii) const
-{
-  const int i = d_ilist[ii];
-  if (mask[i] & groupbit)
-    q(i) = d_s(i);
-}
-
-/* ---------------------------------------------------------------------- */
-
 template<class DeviceType>
 void FixACKS2ReaxFFKokkos<DeviceType>::cleanup_copy()
 {
diff --git a/src/KOKKOS/fix_acks2_reaxff_kokkos.h b/src/KOKKOS/fix_acks2_reaxff_kokkos.h
index 735b478f1b..e81479d3ba 100644
--- a/src/KOKKOS/fix_acks2_reaxff_kokkos.h
+++ b/src/KOKKOS/fix_acks2_reaxff_kokkos.h
@@ -54,8 +54,7 @@ struct TagACKS2Precon1B{};
 struct TagACKS2Precon2{};
 struct TagACKS2Add{};
 struct TagACKS2ZeroQGhosts{};
-struct TagACKS2CalculateQ1{};
-struct TagACKS2CalculateQ2{};
+struct TagACKS2CalculateQ{};
 
 template<class DeviceType>
 class FixACKS2ReaxFFKokkos : public FixACKS2ReaxFF {
@@ -152,10 +151,7 @@ class FixACKS2ReaxFFKokkos : public FixACKS2ReaxFF {
   void operator()(TagACKS2ZeroQGhosts, const int&) const;
 
   KOKKOS_INLINE_FUNCTION
-  void operator()(TagACKS2CalculateQ1, const int&) const;
-
-  KOKKOS_INLINE_FUNCTION
-  void operator()(TagACKS2CalculateQ2, const int&) const;
+  void operator()(TagACKS2CalculateQ, const int&) const;
 
   KOKKOS_INLINE_FUNCTION
   double calculate_H_k(const F_FLOAT &r, const F_FLOAT &shld) const;
diff --git a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp
index 4aa23b77be..76e1f1e94d 100644
--- a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp
+++ b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp
@@ -208,7 +208,6 @@ void FixQEqReaxFFKokkos<DeviceType>::pre_force(int /*vflag*/)
   d_neighbors = k_list->d_neighbors;
   d_ilist = k_list->d_ilist;
   nn = list->inum;
-  NN = list->inum + list->gnum;
 
   copymode = 1;
 
@@ -375,7 +374,7 @@ void FixQEqReaxFFKokkos<DeviceType>::allocate_array()
 
   if (efield) get_chi_field();
 
-  Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagQEqZero>(0,NN),*this);
+  Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagQEqZero>(0,nn),*this);
 
 }
 /* ---------------------------------------------------------------------- */
@@ -872,7 +871,7 @@ void FixQEqReaxFFKokkos<DeviceType>::sparse_matvec_kokkos(typename AT::t_ffloat2
   }
 
   if (neighflag != FULL) {
-    Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagQEqZeroQGhosts>(nn,NN),*this);
+    Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagQEqZeroQGhosts>(atom->nlocal,atom->nghost),*this);
 
     if (need_dup)
       dup_o.reset_except(d_o);
diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp
index 714c0c4914..2408f6649d 100644
--- a/src/KOKKOS/pair_reaxff_kokkos.cpp
+++ b/src/KOKKOS/pair_reaxff_kokkos.cpp
@@ -715,7 +715,7 @@ void PairReaxFFKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
   newton_pair = force->newton_pair;
 
   nn = list->inum;
-  NN = list->inum + list->gnum;
+  NN = atom->nlocal + atom->nghost;
 
   const int inum = list->inum;
   const int ignum = inum + list->gnum;
diff --git a/src/OPENMP/fix_qeq_reaxff_omp.cpp b/src/OPENMP/fix_qeq_reaxff_omp.cpp
index 2bcf639eae..e0714fc636 100644
--- a/src/OPENMP/fix_qeq_reaxff_omp.cpp
+++ b/src/OPENMP/fix_qeq_reaxff_omp.cpp
@@ -237,7 +237,7 @@ void FixQEqReaxFFOMP::init_storage()
 #if defined(_OPENMP)
 #pragma omp parallel for schedule(static)
 #endif
-  for (int i = 0; i < NN; i++) {
+  for (int i = 0; i < nn; i++) {
     Hdia_inv[i] = 1. / eta[atom->type[i]];
     b_s[i] = -chi[atom->type[i]];
     if (efield) b_s[i] -= chi_field[i];
@@ -258,13 +258,11 @@ void FixQEqReaxFFOMP::pre_force(int /* vflag */)
 
   if (reaxff) {
     nn = reaxff->list->inum;
-    NN = reaxff->list->inum + reaxff->list->gnum;
     ilist = reaxff->list->ilist;
     numneigh = reaxff->list->numneigh;
     firstneigh = reaxff->list->firstneigh;
   } else {
     nn = list->inum;
-    NN = list->inum + list->gnum;
     ilist = list->ilist;
     numneigh = list->numneigh;
     firstneigh = list->firstneigh;
@@ -505,15 +503,14 @@ void FixQEqReaxFFOMP::sparse_matvec(sparse_matrix *A, double *x, double *b)
 #if defined(_OPENMP)
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (ii = nn; ii < NN; ++ii) {
-      i = ilist[ii];
+    for (i = atom->nlocal; i < atom->nghost; ++i) {
       if (atom->mask[i] & groupbit) b[i] = 0;
     }
 
 #if defined(_OPENMP)
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (i = 0; i < NN; ++i)
+    for (i = 0; i < atom->nghost; ++i)
       for (int t=0; t<nthreads; t++) b_temp[t][i] = 0.0;
 
     // Wait for b accumulated and b_temp zeroed.
@@ -538,7 +535,7 @@ void FixQEqReaxFFOMP::sparse_matvec(sparse_matrix *A, double *x, double *b)
 #pragma omp barrier
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (i = 0; i < NN; ++i)
+    for (i = 0; i < atom->nghost; ++i)
       for (int t = 0; t < nthreads; ++t) b[i] += b_temp[t][i];
 
   } //end omp parallel
@@ -838,8 +835,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x1, double *x
 #if defined(_OPENMP)
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (ii = nn; ii < NN; ++ii) {
-      i = ilist[ii];
+    for (i = atom->nlocal; i < atom->nghost; ++i) {
       if (atom->mask[i] & groupbit) {
         indxI = 2 * i;
         b[indxI]   = 0;
@@ -850,7 +846,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x1, double *x
 #if defined(_OPENMP)
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (i = 0; i < NN; ++i) {
+    for (i = 0; i < atom->nghost; ++i) {
       indxI = 2 * i;
       for (int t=0; t<nthreads; t++) {
         b_temp[t][indxI] = 0.0;
@@ -884,7 +880,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x1, double *x
 #pragma omp barrier
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (i = 0; i < NN; ++i) {
+    for (i = 0; i < atom->nghost; ++i) {
       indxI = 2 * i;
       for (int t = 0; t < nthreads; ++t) {
         b[indxI] += b_temp[t][indxI];
@@ -929,8 +925,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x, double *b)
 #if defined(_OPENMP)
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (ii = nn; ii < NN; ++ii) {
-      i = ilist[ii];
+    for (i = atom->nlocal; i < atom->nghost; ++i) {
       if (atom->mask[i] & groupbit) {
         indxI = 2 * i;
         b[indxI]   = 0;
@@ -941,7 +936,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x, double *b)
 #if defined(_OPENMP)
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (i = 0; i < NN; ++i) {
+    for (i = 0; i < atom->nghost; ++i) {
       indxI = 2 * i;
       for (int t=0; t<nthreads; t++) {
         b_temp[t][indxI] = 0.0;
@@ -975,7 +970,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x, double *b)
 #pragma omp barrier
 #pragma omp for schedule(dynamic,50)
 #endif
-    for (i = 0; i < NN; ++i) {
+    for (i = 0; i < atom->nghost; ++i) {
       indxI = 2 * i;
       for (int t = 0; t < nthreads; ++t) {
         b[indxI] += b_temp[t][indxI];
diff --git a/src/REAXFF/fix_acks2_reaxff.cpp b/src/REAXFF/fix_acks2_reaxff.cpp
index c3457d1712..ad026102e0 100644
--- a/src/REAXFF/fix_acks2_reaxff.cpp
+++ b/src/REAXFF/fix_acks2_reaxff.cpp
@@ -306,7 +306,7 @@ void FixACKS2ReaxFF::init_storage()
 {
   if (efield) get_chi_field();
 
-  for (int ii = 0; ii < NN; ii++) {
+  for (int ii = 0; ii < nn; ii++) {
     int i = ilist[ii];
     if (atom->mask[i] & groupbit) {
       b_s[i] = -chi[atom->type[i]];
@@ -329,17 +329,15 @@ void FixACKS2ReaxFF::pre_force(int /*vflag*/)
 {
   if (update->ntimestep % nevery) return;
 
-  int n = atom->nlocal;
+  NN = atom->nlocal + atom->nghost;
 
   if (reaxff) {
     nn = reaxff->list->inum;
-    NN = reaxff->list->inum + reaxff->list->gnum;
     ilist = reaxff->list->ilist;
     numneigh = reaxff->list->numneigh;
     firstneigh = reaxff->list->firstneigh;
   } else {
     nn = list->inum;
-    NN = list->inum + list->gnum;
     ilist = list->ilist;
     numneigh = list->numneigh;
     firstneigh = list->firstneigh;
@@ -349,7 +347,7 @@ void FixACKS2ReaxFF::pre_force(int /*vflag*/)
   // need to be atom->nmax in length
 
   if (atom->nmax > nmax) reallocate_storage();
-  if (n > n_cap*DANGER_ZONE || m_fill > m_cap*DANGER_ZONE)
+  if (atom->nlocal > n_cap*DANGER_ZONE || m_fill > m_cap*DANGER_ZONE)
     reallocate_matrix();
 
   if (efield) get_chi_field();
@@ -626,8 +624,7 @@ void FixACKS2ReaxFF::sparse_matvec_acks2(sparse_matrix *H, sparse_matrix *X, dou
     }
   }
 
-  for (ii = nn; ii < NN; ++ii) {
-    i = ilist[ii];
+  for (i = atom->nlocal; i < atom->nghost; ++i) {
     if (atom->mask[i] & groupbit) {
       b[i] = 0;
       b[NN + i] = 0;
@@ -680,6 +677,8 @@ void FixACKS2ReaxFF::calculate_Q()
     i = ilist[ii];
     if (atom->mask[i] & groupbit) {
 
+      atom->q[i] = s[i];
+
       /* backup s */
       for (k = nprev-1; k > 0; --k) {
         s_hist[i][k] = s_hist[i][k-1];
@@ -698,14 +697,8 @@ void FixACKS2ReaxFF::calculate_Q()
     }
   }
 
-  pack_flag = 2;
-  comm->forward_comm(this); //Dist_vector(s);
-
-  for (int ii = 0; ii < NN; ++ii) {
-    i = ilist[ii];
-    if (atom->mask[i] & groupbit)
-      atom->q[i] = s[i];
-  }
+ pack_flag = 4;
+ comm->forward_comm(this); //Dist_vector(q);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -733,6 +726,11 @@ int FixACKS2ReaxFF::pack_forward_comm(int n, int *list, double *buf,
       buf[m++] = q_hat[j];
       buf[m++] = q_hat[NN+j];
     }
+  }  else if (pack_flag == 4) {
+    for(int i = 0; i < n; i++) {
+      int j = list[i];
+      buf[m++] = atom->q[j];
+    }
   }
   return m;
 }
@@ -761,6 +759,10 @@ void FixACKS2ReaxFF::unpack_forward_comm(int n, int first, double *buf)
       q_hat[i] = buf[m++];
       q_hat[NN+i] = buf[m++];
     }
+  } else if (pack_flag == 4) {
+    for(i = first; i < last; i++) {
+      atom->q[i] = buf[m++];
+    }
   }
 }
 
diff --git a/src/REAXFF/fix_acks2_reaxff.h b/src/REAXFF/fix_acks2_reaxff.h
index 2d21f80fe0..27ba196bbd 100644
--- a/src/REAXFF/fix_acks2_reaxff.h
+++ b/src/REAXFF/fix_acks2_reaxff.h
@@ -37,7 +37,7 @@ class FixACKS2ReaxFF : public FixQEqReaxFF {
   double *get_s() { return s; }
 
  protected:
-  int last_rows_rank, last_rows_flag;
+  int NN, last_rows_rank, last_rows_flag;
 
   double **s_hist_X, **s_hist_last;
   double *bcut_acks2, bond_softness, **bcut;    // acks2 parameters
diff --git a/src/REAXFF/fix_qeq_reaxff.cpp b/src/REAXFF/fix_qeq_reaxff.cpp
index c2469ee9eb..12300d7054 100644
--- a/src/REAXFF/fix_qeq_reaxff.cpp
+++ b/src/REAXFF/fix_qeq_reaxff.cpp
@@ -104,7 +104,7 @@ FixQEqReaxFF::FixQEqReaxFF(LAMMPS *lmp, int narg, char **arg) :
   shld = nullptr;
 
   nn = n_cap = 0;
-  NN = nmax = 0;
+  nmax = 0;
   m_fill = m_cap = 0;
   pack_flag = 0;
   s = nullptr;
@@ -319,7 +319,7 @@ void FixQEqReaxFF::reallocate_storage()
 
 void FixQEqReaxFF::allocate_matrix()
 {
-  int i,ii,n,m;
+  int i,ii,m;
 
   int mincap;
   double safezone;
@@ -332,8 +332,7 @@ void FixQEqReaxFF::allocate_matrix()
     safezone = REAX_SAFE_ZONE;
   }
 
-  n = atom->nlocal;
-  n_cap = MAX((int)(n * safezone), mincap);
+  n_cap = MAX((int)(atom->nlocal * safezone), mincap);
 
   // determine the total space for the H matrix
 
@@ -493,13 +492,11 @@ void FixQEqReaxFF::setup_pre_force(int vflag)
 {
   if (reaxff) {
     nn = reaxff->list->inum;
-    NN = reaxff->list->inum + reaxff->list->gnum;
     ilist = reaxff->list->ilist;
     numneigh = reaxff->list->numneigh;
     firstneigh = reaxff->list->firstneigh;
   } else {
     nn = list->inum;
-    NN = list->inum + list->gnum;
     ilist = list->ilist;
     numneigh = list->numneigh;
     firstneigh = list->firstneigh;
@@ -537,7 +534,7 @@ void FixQEqReaxFF::init_storage()
 {
   if (efield) get_chi_field();
 
-  for (int ii = 0; ii < NN; ii++) {
+  for (int ii = 0; ii < nn; ii++) {
     int i = ilist[ii];
     if (atom->mask[i] & groupbit) {
       Hdia_inv[i] = 1. / eta[atom->type[i]];
@@ -561,13 +558,11 @@ void FixQEqReaxFF::pre_force(int /*vflag*/)
 
   if (reaxff) {
     nn = reaxff->list->inum;
-    NN = reaxff->list->inum + reaxff->list->gnum;
     ilist = reaxff->list->ilist;
     numneigh = reaxff->list->numneigh;
     firstneigh = reaxff->list->firstneigh;
   } else {
     nn = list->inum;
-    NN = list->inum + list->gnum;
     ilist = list->ilist;
     numneigh = list->numneigh;
     firstneigh = list->firstneigh;
@@ -791,11 +786,8 @@ void FixQEqReaxFF::sparse_matvec(sparse_matrix *A, double *x, double *b)
       b[i] = eta[atom->type[i]] * x[i];
   }
 
-  for (ii = nn; ii < NN; ++ii) {
-    i = ilist[ii];
-    if (atom->mask[i] & groupbit)
+  for (i = atom->nlocal; i < atom->nghost; ++i)
       b[i] = 0;
-  }
 
   for (ii = 0; ii < nn; ++ii) {
     i = ilist[ii];
diff --git a/src/REAXFF/fix_qeq_reaxff.h b/src/REAXFF/fix_qeq_reaxff.h
index 5ebb410a10..f0f46ed4ce 100644
--- a/src/REAXFF/fix_qeq_reaxff.h
+++ b/src/REAXFF/fix_qeq_reaxff.h
@@ -59,7 +59,7 @@ class FixQEqReaxFF : public Fix {
  protected:
   int nevery, reaxflag;
   int matvecs;
-  int nn, NN, m_fill;
+  int nn, m_fill;
   int n_cap, nmax, m_cap;
   int pack_flag;
   int nlevels_respa;