Fix a segfalut error for a huge matrix

ttadano · Jan 7, 2018 · e162e74 · e162e74
1 parent c504950
commit e162e74
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Showing 2 changed files with 19 additions and 19 deletions.
diff --git a/alm/fitting.cpp b/alm/fitting.cpp
@@ -132,10 +132,10 @@ void Fitting::fitmain()
             << N_new << std::endl << std::endl;
 
         //   memory->allocate(amat, M, N_new);
-        memory->allocate(amat_1D, N_new * M);
+        unsigned long NM = static_cast<long>(N_new) * static_cast<long>(M);
+        memory->allocate(amat_1D, NM);
         memory->allocate(fsum, M);
         memory->allocate(fsum_orig, M);
-
         calc_matrix_elements_algebraic_constraint(M, N, N_new, nat, natmin, ndata_used,
                                                   nmulti, maxorder, u, f, amat_1D, fsum,
                                                   fsum_orig);
@@ -1068,6 +1068,7 @@ void Fitting::calc_matrix_elements(const int M,
                     ++iparam;
                 }
             }
+
         }
 
         memory->deallocate(ind);
@@ -1092,16 +1093,15 @@ void Fitting::calc_matrix_elements_algebraic_constraint(const int M,
                                                         double *bvec,
                                                         double *bvec_orig)
 {
-    int i, j;
-    int irow;
-    int ncycle;
+    long i, j;
+    long irow;
+    long ncycle;
 
     std::cout << "  Calculation of matrix elements for direct fitting started ... ";
-
+    
     ncycle = ndata_fit * nmulti;
-    int natmin3 = 3 * natmin;
-
-
+    long natmin3 = 3 * static_cast<long>(natmin);
+
 #ifdef _OPENMP
 #pragma omp parallel for private(j)
 #endif
@@ -1118,10 +1118,10 @@ void Fitting::calc_matrix_elements_algebraic_constraint(const int M,
 #endif
     {
         int *ind;
-        int mm, order, iat, k;
-        int im, idata, iparam;
-        int ishift;
-        int iold, inew;
+        long mm, order, iat, k;
+        long im, idata, iparam;
+        long ishift;
+        long iold, inew;
         double amat_tmp;
         double **amat_orig;
         double **amat_mod;
@@ -1230,15 +1230,13 @@ void Fitting::calc_matrix_elements_algebraic_constraint(const int M,
                     amat[natmin3 * ncycle * j + i + idata] = amat_mod[i][j];
                 }
             }
-
         }
 
         memory->deallocate(ind);
         memory->deallocate(amat_orig);
         memory->deallocate(amat_mod);
     }
 
-    std::cout << "done!" << std::endl << std::endl;
 }
 
 

diff --git a/alm/memory.h b/alm/memory.h
@@ -25,8 +25,8 @@ namespace ALM_NS
 
         // allocator
 
-        template <typename T>
-        T* allocate(T *&arr, const unsigned int n1)
+        template <typename T, typename A>
+        T* allocate(T *&arr, const A n1)
         {
             try {
                 arr = new T [n1];
@@ -144,9 +144,11 @@ namespace ALM_NS
 
         // memsize calculator
 
-        unsigned long memsize_in_MB(const int size_of_one, const unsigned int n1)
+
+        template <typename A>
+        unsigned long memsize_in_MB(const int size_of_one, const A n1)
         {
-            unsigned long n = n1 * size_of_one;
+            unsigned long n = static_cast<unsigned long>(n1) * size_of_one;
             return n / 1000000;
         }