Changeset 440ac3


Ignore:
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.
Files:
2 added
7 edited

Legend:

Unmodified
Added
Removed

  • configure.ac

    rc3f795 r440ac3  
    523523        tests/Calculations/Makefile])
    524524AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
     525AC_CONFIG_FILES([tests/Calculations/molecuilder_mpqc], [chmod +x tests/Calculations/molecuilder_mpqc])
    525526
    526527AC_CONFIG_TESTDIR(tests/CodeChecks)
    … …  
    578579        tests/Examples/Makefile])
    579580AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
     581AC_CONFIG_FILES([tests/Examples/molecuilder_mpqc], [chmod +x tests/Examples/molecuilder_mpqc])
    580582
    581583AC_CONFIG_FILES([

  • src/Makefile.am

    rc3f795 r440ac3  
    407407        $(JobMarket_LIBS)
    408408
    409 bin_PROGRAMS += Controller PoolWorker Server
    410 
    411 Controller_SOURCES = controller.cpp controller_AddOn_MPQCCommandJob.cpp
    412 Controller_LDFLAGS = $(AM_LDFLAGS) $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS)
    413 Controller_CPPFLAGS = $(AM_CPPFLAGS) $(JobMarket_CFLAGS)
    414 Controller_LDADD = \
     409bin_PROGRAMS += molecuilder_controller molecuilder_poolworker molecuilder_server
     410
     411molecuilder_controller_SOURCES = controller.cpp controller_AddOn_MPQCCommandJob.cpp
     412molecuilder_controller_LDFLAGS = $(AM_LDFLAGS) $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS)
     413molecuilder_controller_CPPFLAGS = $(AM_CPPFLAGS) $(JobMarket_CFLAGS)
     414molecuilder_controller_LDADD = \
    415415        libFragmentationAutomationController.la \
    416416        libMolecuilderFragmentation_getFromKeysetStub.la \
    … …  
    427427        ${CodePatterns_LIBS}
    428428
    429 PoolWorker_SOURCES = poolworker.cpp
    430 PoolWorker_LDFLAGS = $(AM_LDFLAGS) $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS)
    431 PoolWorker_CPPFLAGS = $(AM_CPPFLAGS) $(JobMarket_CFLAGS)
    432 PoolWorker_LDADD = \
     429molecuilder_poolworker_SOURCES = poolworker.cpp
     430molecuilder_poolworker_LDFLAGS = $(AM_LDFLAGS) $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS)
     431molecuilder_poolworker_CPPFLAGS = $(AM_CPPFLAGS) $(JobMarket_CFLAGS)
     432molecuilder_poolworker_LDADD = \
    433433        libMolecuilderJobs.la \
    434434        libMolecuilderJobs_Work.la \
    … …  
    440440        ${CodePatterns_LIBS}
    441441
    442 Server_SOURCES = Server.cpp
    443 Server_LDFLAGS = $(AM_LDFLAGS) $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS)
    444 Server_CPPFLAGS = $(AM_CPPFLAGS) $(JobMarket_CFLAGS)
    445 Server_LDADD = \
     442molecuilder_server_SOURCES = Server.cpp
     443molecuilder_server_LDFLAGS = $(AM_LDFLAGS) $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS)
     444molecuilder_server_CPPFLAGS = $(AM_CPPFLAGS) $(JobMarket_CFLAGS)
     445molecuilder_server_LDADD = \
    446446        libMolecuilderJobs.la \
    447447        libMolecuilderJobs_Work.la \

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

    rc3f795 r440ac3  
    2222
    2323# check that ports are unique over all tests such that they may run in parallel
    24 WORKERPORT=2075
    25 CONTROLLERPORT=2076
    26 WORKERLISTENPORT=2077
     24WORKERPORT=4015
     25CONTROLLERPORT=4016
     26WORKERLISTENPORT=4017
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/Server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    31 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid])
     31AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    3232
    3333# enlist a worker to work on jobs
    34 ${AUTOTEST_PATH}/../ThirdParty/mpqc_open/src/bin/mpqc/mpqc -n "+v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT" &
     34../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &/
    3535worker_pid=$!
    3636AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    … …  
    4444
    4545# removeall to remove workers, then shutdown for server itself
    46 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    47 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     46AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     47AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    4848
    4949# check that server is truely down

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

    rc3f795 r440ac3  
    2222
    2323# check that ports are unique over all tests such that they may run in parallel
    24 WORKERPORT=2065
    25 CONTROLLERPORT=2066
    26 WORKERLISTENPORT=2067
     24WORKERPORT=4005
     25CONTROLLERPORT=4006
     26WORKERLISTENPORT=4007
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/Server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    31 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid])
     31AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    3232
    3333# enlist a worker to work on jobs
    34 ${AUTOTEST_PATH}/../ThirdParty/mpqc_open/src/bin/mpqc/mpqc -n "+v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT" &
     34../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3535worker_pid=$!
    3636AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    3737
    3838# use molecuilder to add jobs, wait for their completion and obtain results
    39 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])
     39AT_CHECK([../../molecuilder \
     40        -i ${abs_top_srcdir}/tests/Examples/Simple/pre/water.pdb \
     41        -v 3 --select-all-atoms \
     42        --fragment-molecule BondFragment \
     43         --order 1 \
     44         --distance 2 \
     45        --fragment-automation \
     46         --server-address 127.0.0.1 \
     47         --server-port $CONTROLLERPORT \
     48         --DoLongrange 0], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    4049AT_CHECK([fgrep "There are 1 fragments" stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    4150AT_CHECK([fgrep "Energy: -75.6976" stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    … …  
    4352
    4453# removeall to remove workers, then shutdown for server itself
    45 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    46 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     54AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     55AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    4756
    4857# check that server is truely down

  • tests/JobMarket/testsuite-jobmarket-molecuilderrun.at

    rc3f795 r440ac3  
    3636
    3737# start service in background
    38 ${AUTOTEST_PATH}/Server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     38${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3939server_pid=$!
    4040AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid])
    4141
    4242# enlist a worker to work on jobs
    43 ${AUTOTEST_PATH}/PoolWorker -v 5 --signal 2 --server 127.0.0.1:${WORKERPORT} --hostname 127.0.0.1 --listen $WORKERLISTENPORT &
     43${AUTOTEST_PATH}/molecuilder_poolworker -v 5 --signal 2 --server 127.0.0.1:${WORKERPORT} --hostname 127.0.0.1 --listen $WORKERLISTENPORT &
    4444worker_pid=$!
    4545AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    … …  
    5555
    5656# removeall to remove workers, then shutdown for server itself
    57 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    58 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     57AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     58AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    5959
    6060# check that server is truely down

  • tests/JobMarket/testsuite-jobmarket-mpqc-jobs.at

    rc3f795 r440ac3  
    3737
    3838# start service in background
    39 ${AUTOTEST_PATH}/Server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     39${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    4040server_pid=$!
    4141AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid])
    4242
    4343# add jobs
    44 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command addjobs --executable "../../mpqc" --jobfiles Job??.in], 0, [ignore], [ignore], [kill $server_pid])
     44AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command addjobs --executable "../../mpqc" --jobfiles Job??.in], 0, [ignore], [ignore], [kill $server_pid])
    4545
    4646# enlist a worker to work on jobs
    47 ${AUTOTEST_PATH}/PoolWorker -v 5 --signal 2 --server 127.0.0.1:${WORKERPORT} --hostname 127.0.0.1 --listen $WORKERLISTENPORT &
     47${AUTOTEST_PATH}/molecuilder_poolworker -v 5 --signal 2 --server 127.0.0.1:${WORKERPORT} --hostname 127.0.0.1 --listen $WORKERLISTENPORT &
    4848worker_pid=$!
    4949AT_CHECK([sleep 5], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    5050
    5151# send removeall to server such that all workers shutdown
    52 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     52AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    5353
    5454# check number of done jobs
    5555NoJobs=`ls -l ${abs_top_srcdir}/tests/JobMarket/pre/BondFragment* 2>/dev/null | wc -l`
    56 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command receivempqc --fragment-path ${abs_top_srcdir}/tests/JobMarket/pre/ --ids `seq --sep=" " 1 $NoJobs`], 0, [stdout], [ignore], [kill $server_pid])
     56AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command receivempqc --fragment-path ${abs_top_srcdir}/tests/JobMarket/pre/ --ids `seq --sep=" " 1 $NoJobs`], 0, [stdout], [ignore], [kill $server_pid])
    5757AT_CHECK([fgrep "There are 7 fragments" stdout], 0, [ignore], [ignore], [kill $server_pid])
    5858AT_CHECK([fgrep "There are 23 atoms" stdout], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    6161
    6262# shutdown controller socket
    63 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid])
     63AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid])
    6464
    6565# check that server is truely down

  • tests/integration/testsuite-integration-mpqc-jobs.at

    rc3f795 r440ac3  
    1818### test mpqc jobs
    1919
    20 # perform test with PoolWorkers using stastand-inn mpqc
     20# perform test with PoolWorkers using molecuilder_mpqc
    2121AT_SETUP([Integration - fragmentation plus automated fragment calculation via mpqc])
    2222AT_KEYWORDS([fragmentation automation server poolworker molecuilder_mpqc])
    … …  
    2828
    2929# start service in background
    30 ${AUTOTEST_PATH}/Server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     30${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3131server_pid=$!
    3232AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3434
    3535# enlist a worker to work on jobs
    36 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     36../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3737worker_pid=$!
    3838AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    … …  
    6060
    6161# send removeall to server such that all workers shutdown
    62 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    63 
    64 # check number of done jobs
    65 NoJobs=`ls -l ${abs_top_srcdir}/tests/JobMarket/pre/BondFragment* 2>/dev/null | wc -l`
    66 AT_CHECK([fgrep "There are 3 fragments" stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    67 AT_CHECK([fgrep "There are 1 molecules to consider" stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    68 AT_CHECK([fgrep "8 atoms selected." stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    69 AT_CHECK([tail -n 1 BondFragment_Energy.dat | awk '{if ($2!=-78.79298686) exit 1}'], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    70 
    71 # shutdown controller socket
    72 AT_CHECK([${AUTOTEST_PATH}/Controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     62AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    7363
    7464# check that worker is truely down
    7565AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7666AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
     67
     68# check number of done jobs
     69AT_CHECK([fgrep "There are 3 fragments" stdout], 0, [ignore], [ignore], [kill $server_pid])
     70AT_CHECK([fgrep "There are 1 molecules to consider" stdout], 0, [ignore], [ignore], [kill $server_pid])
     71AT_CHECK([fgrep "8 atoms selected." stdout], 0, [ignore], [ignore], [kill $server_pid])
     72AT_CHECK([tail -n 1 BondFragment_Energy.dat | awk '{if ($2!=-78.79298686) exit 1}'], 0, [ignore], [ignore], [kill $server_pid])
     73
     74# shutdown controller socket
     75AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid])
    7776
    7877# check that server is truely down
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