Changeset 1dfe00 for src

Timestamp:

Jun 27, 2014, 9:32:55 PM (11 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:

2cc7faa

Parents:

c3de51

git-author:

Frederik Heber <heber@…> (04/23/14 11:43:17)

git-committer:

Frederik Heber <heber@…> (06/27/14 21:32:55)

Message:

Added inclusion switch on HAVE_JOBMARKET for files depending on JobMarket.

• this is preparatory for using MPQCCommandJob without JobMarket.
• this is possible with several basic files taken over from JobMarket project.
• changes to ExportGraph_ToJobs, needs to export MPQCCommandJob when no HAVE_JOBMARKET is given.

Location:

src

Files:

• Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) (5 diffs)
• Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) (2 diffs)
• Jobs/MPQCCommandJob.hpp (modified) (1 diff)
• Jobs/MPQCJob.hpp (modified) (1 diff)

src/Actions/FragmentationAction/FragmentationAutomationAction.cpp

@@ -53 +53 @@
 #include "CodePatterns/Info.hpp"
 #include "CodePatterns/Log.hpp"
+
+#ifdef HAVE_JOBMARKET
 #include "JobMarket/Jobs/FragmentJob.hpp"
+#else
+#include "Jobs/JobMarket/FragmentJob.hpp"
+#endif
 
 #include "Fragmentation/Automation/FragmentJobQueue.hpp"
+#ifdef HAVE_JOBMARKET
 #include "Fragmentation/Automation/MPQCFragmentController.hpp"
+#else
+#endif
 #include "Fragmentation/Summation/Containers/FragmentationChargeDensity.hpp"
 #include "Fragmentation/Summation/Containers/FragmentationLongRangeResults.hpp"
@@ -99 +107 @@
 }
 
+#ifdef HAVE_JOBMARKET
 static void updateSteps(Process &p, const size_t step, const size_t total)
 {
@@ -104 +113 @@
   p.setCurrStep(step);
 }
+#endif
 
 ActionState::ptr FragmentationFragmentationAutomationAction::performCall() {
@@ -117 +127 @@
   size_t Exitflag = 0;
   std::map<JobId_t, MPQCData> shortrangedata;
+#ifdef HAVE_JOBMARKET
   {
     const size_t NumberJobs = FragmentJobQueue::getInstance().size();
@@ -148 +159 @@
     Exitflag += mpqccontroller.getExitflag();
   }
+#endif
 
 #ifdef HAVE_VMG

src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp

@@ -46 +46 @@
 #include "Fragmentation/KeySet.hpp"
 #include "Fragmentation/Automation/FragmentJobQueue.hpp"
-#include "Fragmentation/Automation/MPQCFragmentController.hpp"
 #include "Helpers/defs.hpp"
+#ifdef HAVE_JOBMARKET
 #include "Jobs/MPQCJob.hpp"
+#else
+#include "Jobs/MPQCCommandJob.hpp"
+#endif
 #include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "Parser/FormatParserStorage.hpp"
@@ -93 +96 @@
       CurrentFragment->OutputConfig(output, jobtype);
       // create job and insert
-      FragmentJob::ptr testJob( new MPQCJob(JobId::IllegalJob, output.str(), begin, end, level) );
+      FragmentJob::ptr testJob(
+#ifdef HAVE_JOBMARKET
+          new MPQCJob(JobId::IllegalJob, output.str(), begin, end, level)
+#else
+          new MPQCCommandJob(output.str(), JobId::IllegalJob)
+#endif
+      );
       testJob->setPriority(CurrentFragment->getKeySet().size());
       jobs.push_back(testJob);

src/Jobs/MPQCCommandJob.hpp

@@ -18 +18 @@
 #include <string>
 
+#ifdef HAVE_JOBMARKET
 #include "JobMarket/Results/FragmentResult.hpp"
 #include "JobMarket/Jobs/SystemCommandJob.hpp"
+#else
+#include "Jobs/JobMarket/FragmentResult.hpp"
+#include "Jobs/JobMarket/SystemCommandJob.hpp"
+#endif
 
 #include "Fragmentation/Summation/Containers/MPQCData.hpp"

src/Jobs/MPQCJob.hpp

@@ -17 +17 @@
 #include "boost/serialization/export.hpp"
 
+#ifdef HAVE_JOBMARKET
 #include "JobMarket/Jobs/FragmentJob.hpp"
+#else
+#include "Jobs/JobMarket/FragmentJob.hpp"
+#endif
 
 #include "Fragmentation/Summation/SetValues/SamplingGridProperties.hpp"