diff --git a/src/USER-INTEL/fix_intel.cpp b/src/USER-INTEL/fix_intel.cpp
index e479ecb68d..c62a6a432a 100644
--- a/src/USER-INTEL/fix_intel.cpp
+++ b/src/USER-INTEL/fix_intel.cpp
@@ -473,14 +473,14 @@ void FixIntel::pair_init_check(const bool cdmessage)
   char kmode[80];
   if (_precision_mode == PREC_MODE_SINGLE) {
     strcpy(kmode, "single");
+    get_single_buffers()->need_tag(need_tag);
   } else if (_precision_mode == PREC_MODE_MIXED) {
     strcpy(kmode, "mixed");
+    get_mixed_buffers()->need_tag(need_tag);
   } else {
     strcpy(kmode, "double");
+    get_double_buffers()->need_tag(need_tag);
   }
-  get_double_buffers()->need_tag(need_tag);
-  get_mixed_buffers()->need_tag(need_tag);
-  get_single_buffers()->need_tag(need_tag);
 
   _pair_intel_count++;
 
diff --git a/src/USER-INTEL/intel_buffers.cpp b/src/USER-INTEL/intel_buffers.cpp
index ec3c233542..436b2f1085 100644
--- a/src/USER-INTEL/intel_buffers.cpp
+++ b/src/USER-INTEL/intel_buffers.cpp
@@ -203,6 +203,8 @@ void IntelBuffers<flt_t, acc_t>::free_nmax()
 template <class flt_t, class acc_t>
 void IntelBuffers<flt_t, acc_t>::_grow_nmax(const int offload_end)
 {
+  if (lmp->atom->molecular) _need_tag = 1;
+  else _need_tag = 0;
   #ifdef _LMP_INTEL_OFFLOAD
   free_nmax();
   int size = lmp->atom->nmax;