diff --git a/src/ML-PACE/compute_pace.cpp b/src/ML-PACE/compute_pace.cpp
index 4689106452..235f555bfa 100644
--- a/src/ML-PACE/compute_pace.cpp
+++ b/src/ML-PACE/compute_pace.cpp
@@ -58,10 +58,16 @@ void ComputePaceAtom::init() {
 }
 
 double ComputePaceAtom::compute_scalar() {
-    invoked_peratom = update->ntimestep;
+    invoked_scalar = update->ntimestep;
     auto pair = (PairPACEActiveLearning *) pair_pace_al;
-    if (invoked_peratom != pair->bevaluator_timestep)
-        error->all(FLERR, "PACE/gamma was not computed on needed timestep.\nIncrease `freq` in pair_style pace/al [gamma_lower_bound] [gamma_upper_bound] [freq] or reset timestep to 0");
+
+    if (invoked_scalar != pair->bevaluator_timestep) {
+//        error->all(FLERR,
+//                   "PACE/gamma was not computed on needed timestep.\nIncrease `freq` in pair_style pace/al [gamma_lower_bound] [gamma_upper_bound] [freq] or reset timestep to 0");
+        utils::logmesg(lmp,"[ComputePaceAtom::compute_scalar] Reseting timestep shift to {} and recomputing\n",invoked_scalar);
+        pair->bevaluator_timestep_shift = invoked_scalar;
+        pair->compute(1, 1);
+    }
 
     scalar = pair->max_gamma_grade_per_structure;
     return scalar;
@@ -70,8 +76,13 @@ double ComputePaceAtom::compute_scalar() {
 void ComputePaceAtom::compute_peratom() {
     invoked_peratom = update->ntimestep;
     auto pair = (PairPACEActiveLearning *) pair_pace_al;
-    if (invoked_peratom != pair->bevaluator_timestep)
-        error->all(FLERR, "PACE/gamma was not computed on needed timestep.\nIncrease `freq` in pair_style pace/al [gamma_lower_bound] [gamma_upper_bound] [freq] or reset timestep to 0");
+    if (invoked_peratom != pair->bevaluator_timestep) {
+//        error->all(FLERR,
+//                   "PACE/gamma was not computed on needed timestep.\nIncrease `freq` in pair_style pace/al [gamma_lower_bound] [gamma_upper_bound] [freq] or reset timestep to 0");
+        utils::logmesg(lmp,"[ComputePaceAtom::compute_scalar] Reseting timestep shift to {} and recomputing\n",invoked_scalar);
+        pair->bevaluator_timestep_shift = invoked_peratom;
+        pair->compute(1, 1);
+    }
     vector_atom = pair->extrapolation_grade_gamma;
 
 }
\ No newline at end of file
diff --git a/src/ML-PACE/pair_pace_al.cpp b/src/ML-PACE/pair_pace_al.cpp
index baa14c8c08..ce8a75a6e5 100644
--- a/src/ML-PACE/pair_pace_al.cpp
+++ b/src/ML-PACE/pair_pace_al.cpp
@@ -224,7 +224,7 @@ void PairPACEActiveLearning::compute(int eflag, int vflag) {
     }
 
     int current_timestep = update->ntimestep;
-    bool is_bevaluator = current_timestep % gamma_grade_eval_freq == 0;
+    bool is_bevaluator = (current_timestep - bevaluator_timestep_shift) % gamma_grade_eval_freq == 0;
 
     if (is_bevaluator)
         aceimpl->ace->resize_neighbours_cache(max_jnum);
diff --git a/src/ML-PACE/pair_pace_al.h b/src/ML-PACE/pair_pace_al.h
index 7e66603092..29a76e1f3c 100644
--- a/src/ML-PACE/pair_pace_al.h
+++ b/src/ML-PACE/pair_pace_al.h
@@ -77,6 +77,7 @@ namespace LAMMPS_NS {
         double rcutmax;               // max cutoff for all elements
         int nelements;                // # of unique elements
         int bevaluator_timestep;    // timestep, on which gamma grade were computed
+        int bevaluator_timestep_shift = 0; //
         double *extrapolation_grade_gamma; //per-atom gamma value
 
         double **scale;