Changeset 4e0e08 for tests


Ignore:
Timestamp:
Mar 2, 2017, 10:26:58 PM (9 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, Candidate_v1.7.0, 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.

Location:
tests
Files:
22 edited

Legend:

Unmodified
Added
Removed

  • tests/Calculations/testsuite-calculations-jobmarket-1_2-dimethoxyethane.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=1_2-dimethoxyethane
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-1_2-dimethylbenzene.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=1_2-dimethylbenzene
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-2-methylcyclohexanone.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=2-methylcyclohexanone
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-N_N-dimethylacetamide.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=N_N-dimethylacetamide
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-anthracene.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=anthracene
    … …  
    6161         --analyse-fragment-results \
    6262         --fragment-prefix $FILENAME],
    63          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    64 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     63         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     64AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6565
    6666# send removeall to server such that all workers shutdown
    67 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     67AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6868
    6969# shutdown controller socket
    7070AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    71 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    7272
    7373# check that worker is truly down
    74 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     74AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7575AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7676

  • tests/Calculations/testsuite-calculations-jobmarket-benzene.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=benzene
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-cholesterol.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=cholesterol
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-coronene.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=coronene
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-cycloheptane.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=cycloheptane
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-dimethyl_bromomalonate.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=dimethyl_bromomalonate
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-glucose.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=glucose
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-heptan.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=heptan
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-isoleucine.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=isoleucine
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-mpqc.at

    rd8a1ff r4e0e08  
    2626
    2727# start service in background
    28 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     28${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    2929server_pid=$!
    3030AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3232
    3333# enlist a worker to work on jobs
    34 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     34../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3535worker_pid=$!
    36 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    37 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     36AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     37AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3838
    3939file=input.in
    … …  
    4646        ignore,
    4747        ignore)
    48 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     48AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    4949
    5050# send removeall to server such that all workers shutdown
    51 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     51AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    5252
    5353# shutdown controller socket
    5454AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    55 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 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 $worker_pid $server_pid])
    5656
    5757# check that worker is truly down
    58 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     58AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    5959AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    6060

  • tests/Calculations/testsuite-calculations-jobmarket-naphthalene.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=naphthalene
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-neohexane.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=neohexane
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-phenanthrene.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=phenanthrene
    … …  
    6060         --analyse-fragment-results \
    6161         --fragment-prefix $FILENAME],
    62          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    63 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     62         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     63AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6464
    6565# send removeall to server such that all workers shutdown
    66 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     66AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6767
    6868# shutdown controller socket
    6969AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    70 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     70AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    7171
    7272# check that worker is truly down
    73 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     73AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7474AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7575

  • tests/Calculations/testsuite-calculations-jobmarket-proline.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=proline
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-putrescine.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=putrescine
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

  • tests/Calculations/testsuite-calculations-jobmarket-tartaric_acid.at

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    … …  
    3333
    3434# enlist a worker to work on jobs
    35 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     35../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3636worker_pid=$!
    37 AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    38 AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     37AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     38AT_CHECK([kill -s 0 $worker_pid], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3939
    4040MOL=tartaric_acid
    … …  
    5858         --analyse-fragment-results \
    5959         --fragment-prefix $FILENAME],
    60          0, [stdout], [stderr], [kill $server_pid $worker_pid])
    61 AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $server_pid $worker_pid])
     60         0, [stdout], [stderr], [kill $worker_pid $server_pid])
     61AT_CHECK([tail -n 1 ${FILENAME}_Energy.dat | awk '{print $2}' >energy_stdout], 0, [stdout], [stderr], [kill $worker_pid $server_pid])
    6262
    6363# send removeall to server such that all workers shutdown
    64 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     64AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    6565
    6666# shutdown controller socket
    6767AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    68 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     68AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    6969
    7070# check that worker is truly down
    71 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     71AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    7272AT_CHECK([kill $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    7373

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

    rd8a1ff r4e0e08  
    3434../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &/
    3535worker_pid=$!
    36 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     36AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3737
    3838# prepare session script
    39 AT_CHECK([sed -e "s#ABS_TOP_SRCDIR#${abs_top_srcdir}#" -e "s#CONTROLLERPORT#${CONTROLLERPORT}#" ${abs_top_srcdir}/tests/Examples/PartialChargeFitting/pre/session.py >session.py], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     39AT_CHECK([sed -e "s#ABS_TOP_SRCDIR#${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])
    4040
    4141# use molecuilder to add jobs, wait for their completion and obtain results
    42 AT_CHECK([../../molecuilder --load-session session.py], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    43 AT_CHECK([diff water.particles ${abs_top_srcdir}/tests/Examples/PartialChargeFitting/post/water.particles], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     42AT_CHECK([../../molecuilder --load-session session.py], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
    4443
    45 # removeall to remove workers, then shutdown for server itself
    46 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    47 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     44# send removeall to server such that all workers shutdown
     45AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     46AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     47AT_CHECK([kill -s 0 $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    4848
    49 # check that server is truely down
    50 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    51 AT_CHECK([kill $server_pid $worker_pid], 1, [ignore], [ignore])
     49# check results
     50AT_CHECK([diff water.particles ${abs_top_srcdir}/tests/Examples/PartialChargeFitting/post/water.particles], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     51
     52# shutdown for server
     53AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
     54AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     55AT_CHECK([kill -s 0 $server_pid], 1, [ignore], [ignore])
    5256
    5357AT_CLEANUP

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

    rd8a1ff r4e0e08  
    2727
    2828# start service in background
    29 ${AUTOTEST_PATH}/molecuilder_server --signal 2 --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
     29${AUTOTEST_PATH}/molecuilder_server --workerport $WORKERPORT --controllerport $CONTROLLERPORT &
    3030server_pid=$!
    3131AT_CHECK([sleep 2], 0, [ignore], [ignore], [kill $server_pid])
    3232
    3333# enlist a worker to work on jobs
    34 ../../molecuilder_mpqc +v 5 ++signal 2 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
     34../../molecuilder_mpqc +v 5 ++server 127.0.0.1:${WORKERPORT} ++hostname 127.0.0.1 ++listen $WORKERLISTENPORT &
    3535worker_pid=$!
    36 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     36AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    3737
    3838# use molecuilder to add jobs, wait for their completion and obtain results
    … …  
    4646         --server-address 127.0.0.1 \
    4747         --server-port $CONTROLLERPORT \
    48          --DoLongrange 0], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    49 AT_CHECK([fgrep "There are 1 fragments" stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    50 AT_CHECK([fgrep "Energy: -75.6976" stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    51 AT_CHECK([egrep 'Forces: .-4.64797e-16,1.53012e-17,0.0915748.; .-0.0764258,4.19204e-18,-0.0457874.; .0.0764258,-1.94932e-17,-0.0457874.' stdout], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
     48         --DoLongrange 0], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
     49AT_CHECK([fgrep "There are 1 fragments" stdout], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     50AT_CHECK([fgrep "Energy: -75.6976" stdout], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     51AT_CHECK([egrep 'Forces: .-4.64797e-16,1.53012e-17,0.0915748.; .-0.0764258,4.19204e-18,-0.0457874.; .0.0764258,-1.94932e-17,-0.0457874.' stdout], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
    5252
    53 # removeall to remove workers, then shutdown for server itself
    54 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
    55 AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $server_pid $worker_pid])
     53# send removeall to server such that all workers shutdown
     54AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command removeall], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     55AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     56AT_CHECK([kill -s 0 $worker_pid], 1, [ignore], [ignore], [kill $server_pid])
    5657
    57 # check that server is truely down
    58 AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
    59 AT_CHECK([kill $server_pid $worker_pid], 1, [ignore], [ignore])
     58# shutdown for server
     59AT_CHECK([${AUTOTEST_PATH}/molecuilder_controller --server 127.0.0.1:$CONTROLLERPORT --command shutdown], 0, [stdout], [ignore], [kill $worker_pid $server_pid])
     60AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $worker_pid $server_pid])
     61AT_CHECK([kill -s 0 $server_pid], 1, [ignore], [ignore])
    6062
    6163AT_CLEANUP
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