additional hand merge from additional_dca_data_testing

CompFUSE · Dec 14, 2023 · 0e25e4f · 0e25e4f
1 parent 26152c1
commit 0e25e4f
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Showing 2 changed files with 140 additions and 1 deletion.
diff --git a/test/unit/phys/dca_data/dca_data_test.cpp b/test/unit/phys/dca_data/dca_data_test.cpp
@@ -105,13 +105,19 @@ struct DCADataTestWrapper : public ::testing::Test {
 constexpr char read_sigma_input_file[] =
     DCA_SOURCE_DIR "/test/unit/phys/dca_data/input_read_hdf5.json";
 
+constexpr char dca_data_test_adios2_input[] =
+    DCA_SOURCE_DIR "/test/unit/phys/dca_data/input_adios2.json";
+
 using DCADataTest = DCADataTestWrapper<DCADSetup<read_sigma_input_file>>;
 
 TEST_F(DCADataTest, ReadSigma) {
   dca_setup_.data_->initialize();
   std::cout << "initial_self_energy:" << dca_setup_.parameters_->get_initial_self_energy();
   dca_setup_.data_->initializeSigma("dca_data_test.hdf5");
   EXPECT_EQ(dca_setup_.parameters_->get_chemical_potential(), 3.0);
+  decltype(dca_setup_.data_->Sigma) check_sigma("check_sigma");
+  check_sigma = 3.0;
+  EXPECT_EQ(dca_setup_.data_->Sigma, check_sigma);
 }
 
 TEST_F(DCADataTest, ReadSigmaLegacy) {
@@ -178,6 +184,7 @@ int main(int argc, char** argv) {
     dca_data.data_->initialize();
     dca_data.loop_data_->chemical_potential(0) = 1.0;
     dca_data.loop_data_->last_completed_iteration = 0;
+    dca_data.data_->Sigma = 1.0;
     std::string format{"HDF5"};
     dca::io::Writer<Concurrency> writer(
 #ifdef DCA_HAVE_ADIOS2
@@ -191,19 +198,21 @@ int main(int argc, char** argv) {
     writer.end_step();
     dca_data.loop_data_->chemical_potential(1) = 2.0;
     dca_data.loop_data_->last_completed_iteration = 1;
+    dca_data.data_->Sigma = 2.0;
     writer.begin_step();
     dca_data.data_->write(writer);
     dca_data.loop_data_->write(writer, *concurrency_ptr);
     writer.end_step();
     dca_data.loop_data_->chemical_potential(2) = 3.0;
     dca_data.loop_data_->last_completed_iteration = 2;
+    dca_data.data_->Sigma = 3.0;
     writer.begin_step();
     dca_data.data_->write(writer);
     dca_data.loop_data_->write(writer, *concurrency_ptr);
     writer.end_step();
     writer.close_file();
 
-	// Fake legacy hdf5 file by omitting steps
+    // Fake legacy hdf5 file by omitting steps
     dca::io::Writer<Concurrency> writer_legacy(
 #ifdef DCA_HAVE_ADIOS2
         *adios_ptr,
@@ -212,12 +221,81 @@ int main(int argc, char** argv) {
     writer_legacy.open_file("dca_data_test_legacy.hdf5", true);
     dca_data.loop_data_->chemical_potential(3) = 4.0;
     dca_data.loop_data_->last_completed_iteration = 3;
+    dca_data.data_->Sigma = 4.0;
     dca_data.data_->write(writer_legacy);
     dca_data.loop_data_->write(writer_legacy, *concurrency_ptr);
     auto& hdf5_writer = std::get<dca::io::HDF5Writer>(writer_legacy.getUnderlying());
     // this writes without a top level steps variable
     hdf5_writer.legacy_close_file();
   }
+#ifdef DCA_HAVE_ADIOS2
+
+  {
+    // Make adioss file for testing.
+    DCADSetup<dca_data_test_adios2_input> dca_data;
+    dca_data.SetUp(concurrency_ptr);
+    dca_data.data_->initialize();
+    dca_data.loop_data_->chemical_potential(0) = 1.0;
+    dca_data.loop_data_->last_completed_iteration = 0;
+    dca_data.data_->Sigma = 1.0;
+    std::string format{"ADIOS2"};
+    dca::io::Writer<Concurrency> writer(*adios_ptr, *concurrency_ptr, format);
+    writer.open_file("dca_data_test.bp", true);
+    //insure chemical potentials past the last complete iteration are ignored.
+    dca::io::Writer<Concurrency> writer_extra_cpot(
+        *adios_ptr,
+        *concurrency_ptr, format);
+    writer_extra_cpot.open_file("dca_data_test_extra_cpot.bp", true);
+    //insure chemical potentials past the last complete iteration are ignored.
+    dca::io::Writer<Concurrency> writer_another_cpot(
+        *adios_ptr,
+        *concurrency_ptr, format);
+    writer_another_cpot.open_file("dca_data_test_another_cpot.bp", true);
+
+    std::vector<std::reference_wrapper<dca::io::Writer<Concurrency>>> writers{writer, writer_extra_cpot, writer_another_cpot};
+
+    auto begin_steps = [](dca::io::Writer<Concurrency>& writer) { writer.begin_step(); };
+    auto writes = [&dca_data](dca::io::Writer<Concurrency>& writer) { dca_data.data_->write(writer);
+      dca_data.loop_data_->write(writer, *concurrency_ptr);};
+    auto end_steps = [](dca::io::Writer<Concurrency>& writer) { writer.end_step(); };
+
+    std::for_each(writers.begin(), writers.end(), begin_steps);
+    std::for_each(writers.begin(), writers.end(), writes);
+    std::for_each(writers.begin(), writers.end(), end_steps);    
+
+    dca_data.loop_data_->chemical_potential(1) = 2.0;
+    dca_data.loop_data_->last_completed_iteration = 1;
+    dca_data.data_->Sigma = 2.0;
+    std::for_each(writers.begin(), writers.end(), begin_steps);
+    std::for_each(writers.begin(), writers.end(), writes);
+    std::for_each(writers.begin(), writers.end(), end_steps);    
+
+    dca_data.loop_data_->chemical_potential(2) = 3.0;
+    dca_data.loop_data_->last_completed_iteration = 2;
+    dca_data.data_->Sigma = 3.0;
+    std::for_each(writers.begin(), writers.end(), begin_steps);
+    std::for_each(writers.begin(), writers.end(), writes);
+    std::for_each(writers.begin(), writers.end(), end_steps);    
+
+
+    dca_data.loop_data_->chemical_potential(3) = 4.0;
+    dca_data.data_->Sigma = 4.0;
+    writer_extra_cpot.begin_step();
+    dca_data.data_->write(writer_extra_cpot);
+    dca_data.loop_data_->write(writer_extra_cpot, *concurrency_ptr);
+    writer_extra_cpot.end_step();
+    writer_extra_cpot.close_file();
+
+
+    dca_data.loop_data_->last_completed_iteration = 3;
+    writer_another_cpot.begin_step();
+    dca_data.data_->write(writer_another_cpot);
+    dca_data.loop_data_->write(writer_another_cpot, *concurrency_ptr);
+    writer_another_cpot.end_step();
+    writer_another_cpot.close_file();
+  }
+#endif
+
   int result = RUN_ALL_TESTS();
   return result;
 }
diff --git a/test/unit/phys/dca_data/input_adios2.json b/test/unit/phys/dca_data/input_adios2.json
@@ -0,0 +1,61 @@
+{
+  "output" :
+  {
+    "output-format"         : "ADIOS2",
+    "output-ED"  : "ed_results.hdf5",
+    "output-QMC" : "output_QMC.hdf5"
+  },
+  "physics" :
+  {
+    "beta"                      :  2,
+    "chemical-potential"        : 0
+  },
+  "bilayer-Hubbard-model":
+  {
+    "t"       : 1,
+    "U"       : 2
+  },
+  "Hund-model": {
+    "t"       : 1,
+    "U"       : 1,
+    "V"       : 1,
+    "Jh"      : 2
+  },
+  "single-band-Hubbard-model": {
+    "t"       : 1,
+    "U"       : 2
+  },
+    "DCA": {
+	"iterations": 4
+    },
+  "domains": {
+    "real-space-grids": {
+      "cluster": [[2, 0],
+        [0, 2]]
+    },
+    "imaginary-time": {
+      "sp-time-intervals": 512
+    },
+    "imaginary-frequency": {
+      "sp-fermionic-frequencies": 512,
+      "four-point-fermionic-frequencies" : 8
+    }
+  },
+  "four-point": {
+    "type": "NONE",
+    "momentum-transfer": [0., 3.1415],
+    "frequency-transfer": 2
+  },
+  "Monte-Carlo-integration" : {
+    "warm-up-sweeps"         : 100,
+    "sweeps-per-measurement" : 1,
+    "measurements" : 500,
+    "seed" : 0
+  },
+  "CT-INT" :
+  {
+    "initial-configuration-size" :5,
+    "alpha-dd-pos" : 0.51,
+    "double-update-probability" : 0
+  }
+}