Changeset 3b0d2a

Timestamp:

Apr 8, 2013, 11:56:08 AM (12 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:

c3df23

Parents:

8652a30

git-author:

Frederik Heber <heber@…> (03/03/13 08:04:21)

git-committer:

Frederik Heber <heber@…> (04/08/13 11:56:08)

Message:

Added more timing output to cleanUp().

• final printTiming() is now either brief or exact, not both.
• this is necessary as otherwise total time does not add up.

File:

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

src/cleanUp.cpp

@@ -143 +143 @@
   const MoleCuilder::ActionRegistry &AR = MoleCuilder::ActionRegistry::getInstance();
   const Chronos &Chron = Chronos::getInstance();
-  std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl;
-  for (MoleCuilder::ActionRegistry::const_iterator iter = AR.getBeginIter(); iter != AR.getEndIter(); ++iter)
-    if (Chron.getTime(iter->first) != 0.) { // dont give if action has not been used
+  if (!DoLog(2)) {
+    std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl;
+    for (MoleCuilder::ActionRegistry::const_iterator iter = AR.getBeginIter(); iter != AR.getEndIter(); ++iter)
+      if (Chron.getTime(iter->first) != 0.) { // dont give if action has not been used
+        std::cout << "  " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first;
+        std::cout << setiosflags(ios::left)
+#ifdef HAVE_SYS_TIMES_H
+              << setprecision(3)
+#else
+              << setprecision(9)
+#endif
+              << fixed << Chron.getTime(iter->first) << std::endl;
+      }
+  } else {
+    std::cout << "Measured times [seconds]:" << std::endl;
+    const Chronos::TimekeepingMap &timemap = Chron.getTimekeepingMap();
+    for (Chronos::TimekeepingMap::const_iterator iter = timemap.begin();
+        iter != timemap.end();
+        ++iter) {
       std::cout << "  " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first;
       std::cout << setiosflags(ios::left)
@@ -153 +169 @@
           << setprecision(9)
 #endif
-          << fixed << Chron.getTime(iter->first) << std::endl;
+          << fixed << iter->second << std::endl;
     }
-//  if (DoLog(2)) {
-//    std::cout << "Measured times [seconds]:" << std::endl;
-//    const Chronos::TimekeepingMap &timemap = Chron.getTimekeepingMap();
-//    for (Chronos::TimekeepingMap::const_iterator iter = timemap.begin();
-//        iter != timemap.end();
-//        ++iter) {
-//      std::cout << "  " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first;
-//      std::cout << setiosflags(ios::left)
-//#ifdef HAVE_SYS_TIMES_H
-//          << setprecision(3)
-//#else
-//          << setprecision(9)
-//#endif
-//          << fixed << iter->second << std::endl;
-//    }
-//  }
+  }
   std::cout << "Total Time: " << Chron.SumUpTotalTime() << " seconds" << std::endl;
   std::cout << "Total Actions called: " << Chron.SumUpTotalFunctions() << std::endl;