Changeset 440ac3 for tests/Examples/Simple

Timestamp:

Mar 2, 2017, 2:02:46 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:

c2f543

Parents:

c3f795

git-author:

Frederik Heber <heber@…> (02/20/17 10:44:43)

git-committer:

Frederik Heber <heber@…> (03/02/17 14:02:46)

Message:

Prefixed Controller, Server, and PoolWorker.

• renamed to molecuilder_...
• Calculations check target now each starts .._server and .._poolworker.
• fixed Examples with using molecuilder_mpqc.

File:

• tests/Examples/Simple/testsuite-examples-simple-h2o.at (modified) (2 diffs)

tests/Examples/Simple/testsuite-examples-simple-h2o.at

@@ -22 +22 @@
 
 # check that ports are unique over all tests such that they may run in parallel
-WORKERPORT=2065
-CONTROLLERPORT=2066
-WORKERLISTENPORT=2067
+WORKERPORT=4005
+CONTROLLERPORT=4006
+WORKERLISTENPORT=4007
 
 # start service in background
-${AUTOTEST_PATH}/Server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
+${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
 server_pid=$!
-AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid])
+AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
 
 # enlist a worker to work on jobs
-${AUTOTEST_PATH}/../ThirdParty/mpqc_open/src/bin/mpqc/mpqc -n "+v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT" &
+../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
 worker_pid=$!
 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
 
 # use molecuilder to add jobs, wait for their completion and obtain results
-AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/tests/Examples/Simple/pre/water.pdb -v 3 --select-all-atoms --fragment-molecule BondFragment --order 1 --distance 2 --fragment-automation --server-address 127.0.0.1 --server-port $CONTROLLERPORT], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
+AT_CHECK([../../molecuilder \
+        -i ${abs_top_srcdir}/tests/Examples/Simple/pre/water.pdb \
+        -v 3 --select-all-atoms \
+        --fragment-molecule BondFragment \
+         --order 1 \
+         --distance 2 \
+        --fragment-automation \
+         --server-address 127.0.0.1 \
+         --server-port $CONTROLLERPORT \
+         --DoLongrange 0], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
 AT_CHECK([fgrep "There are 1 fragments" stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
 AT_CHECK([fgrep "Energy: -75.6976" stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
@@ -43 +52 @@
 
 # removeall to remove workers, then shutdown for server itself
-AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
-AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
+AT_CHECK([${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])
 
 # check that server is truely down