Changeset c0917c for src/builder.cpp

Timestamp:

Oct 5, 2009, 2:59:11 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

21b9c3, 5417c5, a33931

Parents:

41194a (diff), b66c22 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'ConcaveHull' of ​ssh://stud64d-02/home/metzler/workspace/espack into ConcaveHull

Conflicts:

molecuilder/src/builder.cpp
molecuilder/src/memoryusageobserver.cpp
molecuilder/src/memoryusageobserver.hpp
molecuilder/src/memoryusageobserverunittest.cpp
molecuilder/src/memoryusageobserverunittest.hpp

This conflict arised, because the #19 commit was already pushed to the server, but the commit was later "amended" locally. This is fixed, there were no real overlaps anyway.

File:

• src/builder.cpp (modified) (2 diffs)

src/builder.cpp

@@ -2017 +2017 @@
       delete(molecules); // also free's all molecules contained
       delete(periode);
-      return j;
+      cout << Verbose(0) <<  "Maximum of allocated memory: "
+        << MemoryUsageObserver::getInstance()->getMaximumUsedMemory() << endl;
+      cout << Verbose(0) <<  "Remaining non-freed memory: "
+        << MemoryUsageObserver::getInstance()->getUsedMemorySize() << endl;
+     return j;
       break;
     case 1:  // just for -v and -h options
       delete(molecules); // also free's all molecules contained
       delete(periode);
+      cout << Verbose(0) <<  "Maximum of allocated memory: "
+        << MemoryUsageObserver::getInstance()->getMaximumUsedMemory() << endl;
       cout << Verbose(0) <<  "Remaining non-freed memory: "
         << MemoryUsageObserver::getInstance()->getUsedMemorySize() << endl;
@@ -2123 +2129 @@
   delete(periode);
 
+  cout << Verbose(0) <<  "Maximum of allocated memory: "
+    << MemoryUsageObserver::getInstance()->getMaximumUsedMemory() << endl;
   cout << Verbose(0) <<  "Remaining non-freed memory: "
     << MemoryUsageObserver::getInstance()->getUsedMemorySize() << endl;