Changeset a953c4 for src/Fragmentation/Automation/FragmentJobQueue.cpp

Timestamp:

Jul 8, 2013, 2:22:01 PM (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:

fdd23a

Parents:

5f0c60

git-author:

Frederik Heber <heber@…> (05/14/13 12:42:00)

git-committer:

Frederik Heber <heber@…> (07/08/13 14:22:01)

Message:

Using priorizing of jobs.

• we now require JobMarket 1.1.4.
• FragmentJobQueue::parseJobs() sets job priority from number of lines.
• ExportGraph_ToJobs::operator() sets job priority from number of keys.

File:

• src/Fragmentation/Automation/FragmentJobQueue.cpp (modified) (2 diffs)

src/Fragmentation/Automation/FragmentJobQueue.cpp

@@ -60 +60 @@
   std::string output((std::istreambuf_iterator<char>(file)),
       std::istreambuf_iterator<char>());
+  // determine number of lines as an approximation to priority of job
+  size_t pos = 0;
+  size_t newlines = 0;
+  while ((pos = output.find('\n', pos+1)) != std::string::npos)
+    ++newlines;
+
+  // get domain size and alikes for density sampling
   double begin[NDIM] = { 0., 0., 0. };
   RealSpaceMatrix M = World::getInstance().getDomain().getM();
@@ -67 +74 @@
   ASSERT( M.determinant() == size*size*size,
       "parsejob() - current domain matrix "+toString(M)+" is not cubic.");
+
+  // create job
   FragmentJob::ptr testJob( new MPQCJob(JobId::IllegalJob, output, begin, end, level) );
+  testJob->setPriority(newlines);
   jobs.push_back(testJob);
   file.close();
-  LOG(1, "INFO: Added MPQCCommandJob from file "+filename+".");
+  LOG(1, "INFO: Added MPQCCommandJob from file "+filename+" with priority "
+      +toString(newlines)+".");
 }