Changeset 4e0e08 for tests/Examples/PartialChargeFitting

Timestamp:

Mar 2, 2017, 10:26:58 PM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

1cde364

Parents:

d8a1ff

git-author:

Frederik Heber <heber@…> (03/02/17 13:53:14)

git-committer:

Frederik Heber <heber@…> (03/02/17 22:26:58)

Message:

Fixed Examples and Calculations with respect to kill on error problems.

File:

• tests/Examples/PartialChargeFitting/testsuite-examples-partialchargefitting-h2o.at (modified) (1 diff)

tests/Examples/PartialChargeFitting/testsuite-examples-partialchargefitting-h2o.at

@@ -34 +34 @@
 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &/
 worker_pid=$!
-AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
+AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
 
 # prepare session script
-AT_CHECK([sed -e "s#ABS_TOP_SRCDIR#${abs_top_srcdir}#" -e "s#CONTROLLERPORT#${CONTROLLERPORT}#" ${abs_top_srcdir}/tests/Examples/PartialChargeFitting/pre/session.py >session.py], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
+AT_CHECK([sed -e "s#ABS_TOP_SRCDIR#${abs_top_srcdir}#" -e "s#CONTROLLERPORT#${CONTROLLERPORT}#" ${abs_top_srcdir}/tests/Examples/PartialChargeFitting/pre/session.py >session.py], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
 
 # use molecuilder to add jobs, wait for their completion and obtain results
-AT_CHECK([../../molecuilder --load-session session.py], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
-AT_CHECK([diff water.particles ${abs_top_srcdir}/tests/Examples/PartialChargeFitting/post/water.particles], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
+AT_CHECK([../../molecuilder --load-session session.py], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
 
-# removeall to remove workers, then shutdown for server itself
-AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
-AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
+# send removeall to server such that all workers shutdown
+AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
+AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
+AT_CHECK([kill -s 0 $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
 
-# check that server is truely down
-AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
-AT_CHECK([kill $server_pid $worker_pid], 1, [ignore], [ignore])
+# check results
+AT_CHECK([diff water.particles ${abs_top_srcdir}/tests/Examples/PartialChargeFitting/post/water.particles], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
+
+# shutdown for server
+AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
+AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
+AT_CHECK([kill -s 0 $server_pid], 1, [ignore], [ignore])
 
 AT_CLEANUP