Fixing HPC version of jast grad only

org/qmckl_jastrow_champ.org

@@ -11767,7 +11767,8 @@ qmckl_compute_jastrow_champ_factor_een_grad_hpc(const qmckl_context context,
 #pragma omp parallel for
 #endif
     for (size_t nw = 0; nw < (size_t) walk_num; ++nw) {
-      memset(&factor_een_grad[elec_num*3*nw], 0, elec_num*3*sizeof(double));
+      double* const restrict factor_een_grad_0nw = &(factor_een_grad[elec_num*3*nw]);
+      memset(factor_een_grad_0nw, 0, elec_num*3*sizeof(double));
     }
     return QMCKL_SUCCESS;
   }
@@ -11779,6 +11780,7 @@ qmckl_compute_jastrow_champ_factor_een_grad_hpc(const qmckl_context context,
 #endif
   for (size_t nw = 0; nw < (size_t) walk_num; ++nw) {
     double* const restrict factor_een_grad_0nw = &(factor_een_grad[elec_num*3*nw]);
+    memset(factor_een_grad_0nw, 0, elec_num*3*sizeof(double));
     for (size_t n = 0; n < (size_t) dim_c_vector; ++n) {
       const size_t l = lkpm_combined_index[n];
       const size_t k = lkpm_combined_index[n+  dim_c_vector];
@@ -12972,6 +12974,7 @@ assert(qmckl_jastrow_champ_provided(context));
         if (fabs(total_j_grad[k][m][e] - total_j_deriv[k][m][e]) > 1e-12) {
           printf("%ld %ld %ld\n", k, m, e);
           printf("total_j_grad = %20.15e\n", total_j_grad[k][m][e]);
+          fflush(stdout);
         }
         assert (fabs(total_j_deriv[k][m][e] - total_j_grad[k][m][e]) < 1.e-12);
       }