Changeset ddeed2

Timestamp:

Mar 22, 2013, 12:04:17 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:

f2fda6

Parents:

d948b4

git-author:

Frederik Heber <heber@…> (03/01/13 19:31:20)

git-committer:

Frederik Heber <heber@…> (03/22/13 00:04:17)

Message:

Using enhanced precision of CodePatterns' Chronos.

• we now require version 1.2.5.

Files:

• configure.ac (modified) (1 diff)
• src/cleanUp.cpp (modified) (1 diff)

configure.ac

@@ -179 +179 @@
 
 
-# CodePatterns library (needs new ax_codepatterns.m4)
-AM_PATH_CODEPATTERNS([1.2.4], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
+# CodePatterns library (needs fixes to Chronos)
+AM_PATH_CODEPATTERNS([1.2.5], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
 
 # JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)

src/cleanUp.cpp

@@ -147 +147 @@
     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) << setprecision(6) << fixed << Chron.getTime(iter->first) << std::endl;
+      std::cout << setiosflags(ios::left)
+#ifdef HAVE_SYS_TIMES_H
+          << setprecision(3)
+#else
+          << setprecision(9)
+#endif
+          << fixed << Chron.getTime(iter->first) << 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;