<point> tag is needed in the sacess xml

Author: ZocoLini

example-files/alpha_pinene_ess_mpi_config.xml

@@ -2,12 +2,12 @@
     <run>
         <typebench>customized</typebench>
         <id>0</id>
-        <log_scale>5</log_scale>
+        <log_scale>4</log_scale>
         <output>0</output>
         <verbose>0</verbose>
         <local_search>1</local_search>
         <stopping_criteria>
-            <maxevaluation>3e5</maxevaluation>
+            <maxevaluation>3e3</maxevaluation>
             <maxtime>1e10</maxtime>
             <vtr>0</vtr>
         </stopping_criteria>
@@ -53,11 +53,14 @@
         <int_var> 0 </int_var>
         <bin_var> 0 </bin_var>
         <lb>
-            0, 0, 0, 0, 0.000001
+            0, 0, 0, 0, 0
         </lb>
         <ub>
             0.001, 0.001, 0.001, 0.0001, 0.001
         </ub>
+        <point>
+            0, 0, 0, 0, 0
+        </point>
     </problem>
 
 </xml>

modules/cuqdyn-c/src/ess_solver.c

@@ -51,9 +51,9 @@ N_Vector execute_ess_solver(const char *file, const char *path, N_Vector texp, S
         create_expetiment_struct(file, &(exptotal[i]), nproc, rank, path, init, texp, yexp, initial_condition);
         if (initial_params != NULL)
         {
-            for (int i = 0; i < NV_LENGTH_S(initial_params); i++)
+            for (int j = 0; j < NV_LENGTH_S(initial_params); j++)
             {
-                exptotal[0].test.bench.X0[0][i] = NV_Ith_S(initial_params, i);
+                exptotal[i].test.bench.X0[0][j] = NV_Ith_S(initial_params, j);
             }
         }
         init = 0;

modules/cuqdyn-c/src/functions.c

@@ -58,27 +58,19 @@ void *ode_model_obj_func(double *x, void *data)
     const int rows = SM_ROWS_D(result);
     const int cols = SM_COLUMNS_D(result);
 
-    // sunrealtype R[(cols - 1) * rows];
     sunrealtype J = 0.0;
 
-    long index = 0;
-
     for (long i = 0; i < rows; ++i)
     {
         // Note that the first col of the result matrix is t
         for (long j = 1; j < cols; ++j)
         {
             const sunrealtype diff = SM_ELEMENT_D(result, i, j) - SM_ELEMENT_D(exptotal->yexp, i, j - 1);
             J += diff * diff;
-            // R[index++] = SM_ELEMENT_D(result, i, j) - SM_ELEMENT_D(exptotal->yexp, i, j - 1);
         }
     }
 
-    // TODO: I'm not sure about this. res->J is a pointer what makes no sense
     res->value = J;
-    // res->g = 0;
-    // res->R = R;
-    // res->size_r = (cols - 1) * rows;
 
     N_VDestroy(parameters);
     SUNMatDestroy(result);