Changeset 103eb8
- Timestamp:
- Jul 6, 2012, 10:18:48 AM (13 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:
- edecba
- Parents:
- c8446c
- git-author:
- Frederik Heber <heber@…> (05/30/12 13:00:50)
- git-committer:
- Frederik Heber <heber@…> (07/06/12 10:18:48)
- Location:
- src
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
src/ControllerOptions_MPQCCommandJob.cpp
rc8446c r103eb8 26 26 27 27 int ControllerOptions_MPQCCommandJob::parseExecutable(boost::program_options::variables_map &vm) { 28 if ( (command == "createjobs") || (command == "addjobs")) {28 if (command == "addjobs") { 29 29 if (!vm.count("executable")) { 30 30 ELOG(1, "'"+command+"' requires two options: [executable] [jobcommand]."); … … 32 32 } 33 33 executable = vm["executable"].as< std::string >(); 34 }35 return 0;36 }37 38 int ControllerOptions_MPQCCommandJob::parseJobCommand(boost::program_options::variables_map &vm) {39 if (command == "createjobs") {40 if (!vm.count("jobcommand")) {41 ELOG(1, "'"+command+"' requires two options: [executable] [jobcommand].");42 return 255;43 }44 jobcommand = vm["jobcommand"].as< std::string >();45 34 } 46 35 return 0; -
src/ControllerOptions_MPQCCommandJob.hpp
rc8446c r103eb8 23 23 { 24 24 int parseExecutable(boost::program_options::variables_map &vm); 25 int parseJobCommand(boost::program_options::variables_map &vm);26 27 25 int parseFragmentpath(boost::program_options::variables_map &vm); 28 26 int parseJobfiles(boost::program_options::variables_map &vm); 29 27 30 28 std::string executable; 31 std::string jobcommand;32 29 std::string fragmentpath; 33 30 std::vector<std::string> jobfiles; -
src/controller_MPQCCommandJob.cpp
rc8446c r103eb8 260 260 } 261 261 262 263 /** Creates a SystemCommandJob out of give \a command with \a argument.264 *265 * @param controller reference to controller to add jobs266 * @param ControllerInfo information on the job267 */268 void createJobs(FragmentController &controller, const ControllerOptions_MPQCCommandJob &ControllerInfo)269 {270 const JobId_t next_id = controller.getAvailableId();271 LOG(2, "DEBUG: Creating new SystemCommandJob with '"272 +toString(ControllerInfo.executable)+"' and argument '"273 +toString(ControllerInfo.jobcommand)+"'.");274 FragmentJob::ptr testJob(275 new SystemCommandJob(ControllerInfo.executable, ControllerInfo.jobcommand, next_id) );276 std::vector<FragmentJob::ptr> jobs;277 jobs.push_back(testJob);278 controller.addJobs(jobs);279 controller.sendJobs(ControllerInfo.server, ControllerInfo.serverport);280 LOG(1, "INFO: Added one SystemCommandJob.");281 }282 283 262 /** Creates a MPQCCommandJob out of give \a command with \a argument. 284 263 * … … 329 308 boost::bind(&std::vector<std::string>::size, boost::cref(CI.jobfiles)))) 330 309 (boost::bind(&AddJobs, boost::ref(controller), boost::cref(CI))) 331 ));332 registrator(new ControllerCommand("createjobs",333 boost::assign::list_of< ControllerCommand::commands_t >334 (boost::bind(&FragmentController::requestIds,335 boost::ref(controller), boost::cref(ControllerInfo.server), boost::cref(ControllerInfo.serverport), 1))336 (boost::bind(&createJobs, boost::ref(controller), boost::cref(CI)))337 310 )); 338 311 registrator(new ControllerCommand("receiveresults", … … 358 331 { 359 332 option 360 ("jobcommand", boost::program_options::value< std::string >(), "command argument for executable for 'createjobs'")361 333 ("executable", boost::program_options::value< std::string >(), "executable for commands 'createjobs'") 362 334 ("fragment-path", boost::program_options::value< std::string >(), "path to fragment files for 'receivempqc'") … … 374 346 status = CI.parseExecutable(vm); 375 347 if (status) return status; 376 status = CI.parseJobCommand(vm);377 if (status) return status;378 348 status = CI.parseFragmentpath(vm); 379 349 if (status) return status;
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