evaluation tracing includes size of TA tensors

INSTALL.md

@@ -17,7 +17,7 @@ While in the SeQuant source directory:
     * [libPerm](https://github.com/Krzmbrzl/libPerm), tag 8e4afd1461baffa5d829c8fed059f5a172a3b060, *if not found, SeQuant will download and build libPerm*
   * optional:
     * for building coupled-cluster evaluation tests:
-      * [TiledArray](https://github.com/ValeevGroup/tiledarray.git), tag 3f6629db047417e814b75ad5069b7f4ce26428e7
+      * [TiledArray](https://github.com/ValeevGroup/tiledarray.git), tag 131ed04c989a5c6022d13e0dfe848d7112ffa9e4
     * for building `stcc*` test programs
         * [Eigen](http://eigen.tuxfamily.org/), version 3
 

SeQuant/domain/eval/eval.hpp

@@ -202,7 +202,8 @@ ERPtr evaluate_core(NodeT const& node, Le const& le, Args&&... args) {
     log_eval(node->is_constant()   ? "[CONSTANT] "
              : node->is_variable() ? "[VARIABLE] "
                                    : "[TENSOR] ",
-             node->label(), "  ", time.count(), "\n");
+             node->label(), "  ", time.count(), "  ", res->size_in_bytes(),
+             "\n");
     return res;
   } else {
     ERPtr const left =
@@ -219,7 +220,8 @@ ERPtr evaluate_core(NodeT const& node, Le const& le, Args&&... args) {
     if (node->op_type() == EvalOp::Sum) {
       auto&& [res, time] = timed_eval([&]() { return left->sum(*right, ann); });
       log_eval("[SUM] ", node.left()->label(), " + ", node.right()->label(),
-               " = ", node->label(), "  ", time.count(), "\n");
+               " = ", node->label(), "  ", time.count(), "  ",
+               res->size_in_bytes(), "\n");
       return res;
     } else {
       assert(node->op_type() == EvalOp::Prod);
@@ -232,7 +234,8 @@ ERPtr evaluate_core(NodeT const& node, Le const& le, Args&&... args) {
       });
 
       log_eval("[PRODUCT] ", node.left()->label(), " * ", node.right()->label(),
-               " = ", node->label(), "  ", time.count(), "\n");
+               " = ", node->label(), "  ", time.count(), "  ",
+               res->size_in_bytes(), "\n");
       return res;
     }
   }
@@ -356,7 +359,8 @@ auto evaluate(NodeT const& node,    //
   auto&& [res, time] = timed_eval([&]() {
     return result->permute(std::array<std::any, 2>{node->annot(), layout});
   });
-  log_eval("[PERMUTE] ", node->label(), "  ", time.count(), "\n");
+  log_eval("[PERMUTE] ", node->label(), "  ", time.count(), "  ",
+           res->size_in_bytes(), "\n");
   return res;
 }
 

SeQuant/domain/eval/eval_result.hpp

@@ -522,6 +522,9 @@ class EvalResult {
     return const_cast<EvalResult&>(*this).get<T>();
   }
 
+  /// @return the size of the object in bytes
+  [[nodiscard]] virtual std::size_t size_in_bytes() const = 0;
+
  protected:
   template <typename T,
             typename = std::enable_if_t<!std::is_convertible_v<T, EvalResult>>>
@@ -614,6 +617,8 @@ class EvalScalar final : public EvalResult {
   [[nodiscard]] id_t type_id() const noexcept override {
     return id_for_type<EvalScalar<T>>();
   }
+
+  [[nodiscard]] std::size_t size_in_bytes() const final { return sizeof(T); }
 };
 
 ///
@@ -743,6 +748,14 @@ class EvalTensorTA final : public EvalResult {
     return eval_result<this_type>(
         particle_antisymmetrize_ta(get<ArrayT>(), bra_rank));
   }
+
+ private:
+  [[nodiscard]] std::size_t size_in_bytes() const final {
+    auto& v = get<ArrayT>();
+    auto local_size = TA::size_of<TA::MemorySpace::Host>(v);
+    v.world().gop.sum(local_size);
+    return local_size;
+  }
 };
 
 template <typename ArrayT,
@@ -882,6 +895,14 @@ class EvalTensorOfTensorTA final : public EvalResult {
     // not implemented yet
     return nullptr;
   }
+
+ private:
+  [[nodiscard]] std::size_t size_in_bytes() const final {
+    auto& v = get<ArrayT>();
+    auto local_size = TA::size_of<TA::MemorySpace::Host>(v);
+    v.world().gop.sum(local_size);
+    return local_size;
+  }
 };
 
 ///
@@ -975,6 +996,14 @@ class EvalTensorBTAS final : public EvalResult {
     return eval_result<EvalTensorBTAS<T>>(
         particle_antisymmetrize_btas(get<T>(), bra_rank));
   }
+
+ private:
+  [[nodiscard]] std::size_t size_in_bytes() const final {
+    static_assert(std::is_arithmetic_v<typename T::value_type>);
+    const auto& tensor = get<T>();
+    // only count data
+    return tensor.range().volume() * sizeof(T);
+  }
 };
 
 }  // namespace sequant

SeQuant/domain/mbpt/rules/df.cpp

@@ -52,7 +52,8 @@ ExprPtr density_fit(ExprPtr const& expr, IndexSpace aux_space,
     if (tensor.label() == tensor_label  //
         && tensor.bra_rank() == 2       //
         && tensor.ket_rank() == 2)
-      return density_fit_impl(tensor, Index(L"1", aux_space), factor_label);
+      return density_fit_impl(
+          tensor, Index(aux_space.base_key() + L"_1", aux_space), factor_label);
     else
       return expr;
   } else if (expr->is<Product>()) {

external/versions.cmake

@@ -6,8 +6,8 @@ set(SEQUANT_TRACKED_VGCMAKEKIT_TAG 4f40440dcbda2a5a005fd15f27c582a5587ee779)
 set(SEQUANT_TRACKED_RANGEV3_TAG 0.12.0)
 set(SEQUANT_TRACKED_RANGEV3_PREVIOUS_TAG d800a032132512a54c291ce55a2a43e0460591c7)
 
-set(SEQUANT_TRACKED_TILEDARRAY_TAG fb5d5b80427cc937238a757ccec0cb313090528d)
-set(SEQUANT_TRACKED_TILEDARRAY_PREVIOUS_TAG c10f8d5cade2e6040d28958f04189d6ae578c00a)
+set(SEQUANT_TRACKED_TILEDARRAY_TAG 131ed04c989a5c6022d13e0dfe848d7112ffa9e4)
+set(SEQUANT_TRACKED_TILEDARRAY_PREVIOUS_TAG 4a646d0c96cd0283eb34185aaf5f5b6fcc302bb2)
 
 set(SEQUANT_TRACKED_LIBPERM_TAG 8e4afd1461baffa5d829c8fed059f5a172a3b060)
 set(SEQUANT_TRACKED_LIBPERM_PREVIOUS_TAG 8e4afd1461baffa5d829c8fed059f5a172a3b060)