Adding redundant call to sync Intel package arrays with native arrays for methods such as MC that do not need pre_reverse.

src/INTEL/fix_intel.cpp

@@ -275,10 +275,8 @@ int FixIntel::setmask()
   int mask = 0;
   mask |= PRE_REVERSE;
   mask |= MIN_PRE_REVERSE;
-  #ifdef _LMP_INTEL_OFFLOAD
   mask |= POST_FORCE;
   mask |= MIN_POST_FORCE;
-  #endif
   mask |= POST_RUN;
   return mask;
 }
@@ -597,6 +595,19 @@ void FixIntel::pre_reverse(int /*eflag*/, int /*vflag*/)
 
 /* ---------------------------------------------------------------------- */
 
+void FixIntel::post_force(int vflag)
+{
+  // Redundant call to sync Intel data structs with native for methods that
+  // call force compute but do not call prereverse
+  _sync_main_arrays(1);
+
+  #ifdef LMP_INTEL_OFFLOAD
+  if (_sync_mode == 2) sync_coprocessor();
+  #endif
+}
+
+/* ---------------------------------------------------------------------- */
+
 template <class acc_t>
 void FixIntel::reduce_results(acc_t * _noalias const f_scalar)
 {
@@ -883,13 +894,6 @@ double FixIntel::memory_usage()
 
 /* ---------------------------------------------------------------------- */
 
-void FixIntel::post_force(int vflag)
-{
-  if (_sync_mode == 2) sync_coprocessor();
-}
-
-/* ---------------------------------------------------------------------- */
-
 template <class ft, class acc_t>
 void FixIntel::add_off_results(const ft * _noalias const f_in,
                                const acc_t * _noalias const ev_global) {

src/INTEL/fix_intel.h

@@ -55,6 +55,7 @@ class FixIntel : public Fix {
   void pre_reverse(int eflag = 0, int vflag = 0) override;
   inline void min_pre_reverse(int eflag = 0, int vflag = 0) override { pre_reverse(eflag, vflag); }
 
+  void post_force(int vflag) override;
   void post_run() override { _print_pkg_info = 1; }
 
   // Get all forces, calculation results from coprocesser
@@ -132,7 +133,6 @@ class FixIntel : public Fix {
   inline void get_buffern(const int offload, int &nlocal, int &nall, int &minlocal);
 
 #ifdef _LMP_INTEL_OFFLOAD
-  void post_force(int vflag);
   inline int coprocessor_number() { return _cop; }
   inline int full_host_list() { return _full_host_list; }
   void set_offload_affinity();

src/MC/fix_gcmc.cpp

@@ -2352,12 +2352,6 @@ double FixGCMC::energy_full()
 
   if (force->kspace) force->kspace->compute(eflag,vflag);
 
-  // unlike Verlet, not performing a reverse_comm() or forces here
-  // b/c GCMC does not care about forces
-  // don't think it will mess up energy due to any post_force() fixes
-  // but Modify::pre_reverse() is needed for INTEL
-
-  if (modify->n_pre_reverse) modify->pre_reverse(eflag,vflag);
   if (modify->n_post_force_any) modify->post_force(vflag);
 
   // NOTE: all fixes with energy_global_flag set and which

src/MC/fix_widom.cpp

@@ -1050,13 +1050,7 @@ double FixWidom::energy_full()
 
   if (force->kspace) force->kspace->compute(eflag,vflag);
 
-  // unlike Verlet, not performing a reverse_comm() or forces here
+  if (modify->n_post_force_any) modify->post_force(vflag);
-  // b/c Widom does not care about forces
-  // don't think it will mess up energy due to any post_force() fixes
-  // but Modify::pre_reverse() is needed for INTEL
-
-  if (modify->n_pre_reverse) modify->pre_reverse(eflag,vflag);
-  if (modify->n_pre_force) modify->pre_force(vflag);
 
   // NOTE: all fixes with energy_global_flag set and which
   //   operate at pre_force() or post_force()