Changeset ca09be
- Timestamp:
- Feb 10, 2015, 2:09:38 PM (10 years ago)
- 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:
- b569b8
- Parents:
- c17aa8
- git-author:
- Frederik Heber <heber@…> (01/25/15 15:51:25)
- git-committer:
- Frederik Heber <heber@…> (02/10/15 14:09:38)
- Location:
- src
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/FragmentationAction/FragmentationAutomationAction.cpp
rc17aa8 rca09be 134 134 // Phase One: obtain ids 135 135 mpqccontroller.requestIds(NumberJobs); 136 if (mpqccontroller.getExitflag() != 0) 137 return Action::failure; 136 138 137 139 // Phase Two: add MPQCJobs and send … … 159 161 wait_thread.join(); 160 162 stop(); 163 if (mpqccontroller.getExitflag() != 0) 164 return Action::failure; 165 161 166 mpqccontroller.getResults(shortrangedata); 167 if (mpqccontroller.getExitflag() != 0) 168 return Action::failure; 162 169 163 170 Exitflag += mpqccontroller.getExitflag(); … … 189 196 mpqccontroller.run(); 190 197 stop(); 198 if (mpqccontroller.getExitflag() != 0) 199 return Action::failure; 191 200 192 201 // get back the results and place them in shortrangedata … … 195 204 "FragmentationFragmentationAutomationAction::performCall() - number of converted results " 196 205 +toString(shortrangedata.size())+" and number of jobs "+toString(NumberJobs)+ " differ."); 206 if (mpqccontroller.getExitflag() != 0) 207 return Action::failure; 197 208 198 209 Exitflag += mpqccontroller.getExitflag(); … … 234 245 const size_t NoJobs = shortrangedata.size()+full_sample.size(); 235 246 vmgcontroller.requestIds(2*NoJobs); 247 if (vmgcontroller.getExitflag() != 0) 248 return Action::failure; 236 249 237 250 // Phase Five a: create VMGJobs for electronic charge distribution … … 254 267 // Phase Six a: calculate result 255 268 vmgcontroller.waitforResults(NoJobs); 269 if (vmgcontroller.getExitflag() != 0) 270 return Action::failure; 256 271 vmgcontroller.getResults(longrangedata); 257 272 ASSERT( NoJobs == longrangedata.size(), … … 282 297 // Phase Six b: calculate result 283 298 vmgcontroller.waitforResults(NoJobs); 299 if (vmgcontroller.getExitflag() != 0) 300 return Action::failure; 284 301 vmgcontroller.getResults(longrangedata_both); 285 302 ASSERT( NoJobs == longrangedata_both.size(), … … 287 304 +toString(full_sample.size())+"="+toString(NoJobs) 288 305 +" and second VMGresults "+toString(longrangedata_both.size())+" don't match."); 306 if (vmgcontroller.getExitflag() != 0) 307 return Action::failure; 289 308 Exitflag += vmgcontroller.getExitflag(); 290 309 -
src/Fragmentation/Automation/ResultContainer_impl.hpp
rc17aa8 rca09be 55 55 for(;resultiter != fragmentresults.end(); ++resultiter, ++dataiter) { 56 56 const JobId_t _id = (*resultiter)->getId(); 57 if ((*resultiter)->exitflag == 0) { 57 58 #ifndef NDEBUG 58 std::pair<typename std::map<JobId_t, T>::iterator, bool> inserter =59 std::pair<typename std::map<JobId_t, T>::iterator, bool> inserter = 59 60 #endif 60 IdData.insert( std::make_pair( _id, *dataiter) ); 61 ASSERT( inserter.second, 62 "ResultContainer::insertResults() - result id " 63 +toString(inserter.first->first)+" already present."); 61 IdData.insert( std::make_pair( _id, *dataiter) ); 62 ASSERT( inserter.second, 63 "ResultContainer::insertResults() - result id " 64 +toString(inserter.first->first)+" already present."); 65 } 64 66 } 65 67 ASSERT( dataiter == fragmentData.end(), -
src/Fragmentation/Automation/SpecificFragmentController_ReceiveResultContainer_impl.hpp
rc17aa8 rca09be 52 52 // wait but receive all results that are already done 53 53 size_t NoReceivedResults = 0; 54 while (NoReceivedResults != NoExpectedResults) { 54 while ((NoReceivedResults != NoExpectedResults) 55 && (callback.getExitflag() == 0)) { 55 56 // wait a bit 56 57 boost::asio::deadline_timer timer(io_service); … … 60 61 callback.checkResults(callback.host, callback.port); 61 62 callback.RunService("Checking on results"); 63 if (callback.getExitflag() != 0) 64 break; 62 65 63 66 const std::pair<size_t, size_t> JobStatus = callback.getJobStatus();
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