def test_issue_199():


    # Create a dictionary describe four mandatory keys:
    # resource, walltime, cpus and project
    # resource is 'local.localhost' to execute locally
    res_dict = {

            'resource': 'local.localhost',
            'walltime': 10,
            'cpus': 1
    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB

    # Create Application Manager
    appman = AppManager(hostname=hostname, port=port)

    # Assign resource manager to the Application Manager
    appman.resource_desc = res_dict

    p = generate_pipeline()

    # Assign the workflow as a set of Pipelines to the Application Manager
    appman.workflow = [p]

    # Run the Application Manager
    appman.run()
def test_amgr_terminate():

    res_dict = {

        'resource': 'xsede.supermic',
        'walltime': 30,
        'cpus': 20,
        'project': 'TG-MCB090174'

    }

    from radical.entk.execman.rp import TaskManager

    amgr = Amgr(rts='radical.pilot', hostname=hostname, port=port)
    amgr.resource_desc = res_dict
    amgr._setup_mqs()
    amgr._rmq_cleanup = True
    amgr._task_manager = TaskManager(sid='test',
                                     pending_queue=list(),
                                     completed_queue=list(),
                                     mq_hostname=amgr._mq_hostname,
                                     rmgr=amgr._resource_manager,
                                     port=amgr._port
                                     )

    amgr.terminate()
def test_issue_271():

    # Create Application Manager
    appman = AppManager(hostname=hostname, port=port)

    # Create a dictionary describe four mandatory keys:
    # resource, walltime, and cpus
    # resource is 'local.localhost' to execute locally
    res_dict = {

        'resource': 'local.localhost',
        'walltime': 10,
        'cpus': 1
    }

    # Assign resource request description to the Application Manager
    appman.resource_desc = res_dict

    # Assign the workflow as a set or list of Pipelines to the Application Manager
    # Note: The list order is not guaranteed to be preserved
    p = generate_pipeline()
    appman.workflow = set([p])

    # Run the Application Manager
    appman.run()

    # assert
    for t in p.stages[0].tasks:
        assert t.state == states.FAILED
def test_stage_post_exec():

    global p1
    
    p1.name = 'p1'

    s = Stage()
    s.name = 's1'

    for t in range(NUM_TASKS):
        s.add_tasks(create_single_task())

    s.post_exec = condition

    p1.add_stages(s)

    res_dict = {

            'resource': 'local.localhost',
            'walltime': 30,
            'cpus': 1,
    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB
    appman = AppManager(rts='radical.pilot', hostname=hostname, port=port)
    appman.resource_desc = res_dict
    appman.workflow = [p1]
    appman.run()
def test_issue_26():

    def create_pipeline():

        p = Pipeline()

        s = Stage()

        t1 = Task()
        t1.name = 'simulation'
        t1.executable = ['/bin/echo']
        t1.arguments = ['hello']
        t1.copy_input_data = []
        t1.copy_output_data = []

        s.add_tasks(t1)

        p.add_stages(s)

        return p


    res_dict = {

            'resource': 'local.localhost',
            'walltime': 10,
            'cpus': 1,
            'project': ''

    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB

    appman = AppManager(hostname=hostname, port=port, autoterminate=False)
    appman.resource_desc = res_dict


    p1 = create_pipeline()
    appman.workflow = [p1]
    appman.run()
    print p1.uid, p1.stages[0].uid

    p2 = create_pipeline()
    appman.workflow = [p2]
    appman.run()
    print p2.uid, p2.stages[0].uid

    appman.resource_terminate()

    lhs = int(p1.stages[0].uid.split('.')[-1]) + 1
    rhs = int(p2.stages[0].uid.split('.')[-1])
    assert lhs == rhs

    for t in p1.stages[0].tasks:
        for tt in p2.stages[0].tasks:
            lhs = int(t.uid.split('.')[-1]) + 1
            rhs = int(tt.uid.split('.')[-1])
            assert lhs == rhs
def test_state_order():

    """
    **Purpose**: Test if the Pipeline, Stage and Task are assigned their states in the correct order
    """

    def create_single_task():

        t1 = Task()
        t1.name = 'simulation'
        t1.executable = ['/bin/date']
        t1.copy_input_data = []
        t1.copy_output_data = []

        return t1

    p1 = Pipeline()
    p1.name = 'p1'

    s = Stage()
    s.name = 's1'
    s.tasks = create_single_task()
    s.add_tasks(create_single_task())

    p1.add_stages(s)

    res_dict = {

            'resource': 'local.localhost',
            'walltime': 5,
            'cpus': 1,
            'project': ''

    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB
    os.environ['RP_ENABLE_OLD_DEFINES'] = 'True'
    
    appman = Amgr(hostname=hostname, port=port)
    appman.resource_desc = res_dict

    appman.workflow = [p1]
    appman.run()

    p_state_hist = p1.state_history
    assert p_state_hist == ['DESCRIBED', 'SCHEDULING', 'DONE']

    s_state_hist = p1.stages[0].state_history
    assert s_state_hist == ['DESCRIBED', 'SCHEDULING', 'SCHEDULED', 'DONE']

    tasks = p1.stages[0].tasks

    for t in tasks:

        t_state_hist = t.state_history
        assert t_state_hist == ['DESCRIBED', 'SCHEDULING', 'SCHEDULED', 'SUBMITTING', 'SUBMITTED',
                            'EXECUTED', 'DEQUEUEING', 'DEQUEUED', 'DONE']
def test_amgr_resource_description_assignment():

    res_dict = {

        'resource': 'xsede.supermic',
        'walltime': 30,
        'cpus': 1000,
        'project': 'TG-MCB090174'

    }

    amgr = Amgr(rts='radical.pilot')
    amgr.resource_desc = res_dict
    from radical.entk.execman.rp import ResourceManager
    assert isinstance(amgr._resource_manager, ResourceManager)

    amgr = Amgr(rts='mock')
    amgr.resource_desc = res_dict
    from radical.entk.execman.mock import ResourceManager
    assert isinstance(amgr._resource_manager, ResourceManager)
def test_issue_236():

    '''
    Create folder temp to transfer as input to task:
    .
    ./temp
    ./temp/dir1
    ./temp/dir1/file2.txt
    ./temp/file1.txt
    '''

    os.makedirs('%s/temp' %cur_dir)
    os.makedirs('%s/temp/dir1' %cur_dir)
    os.system('echo "Hello world" > %s/temp/file1.txt' %cur_dir)
    os.system('echo "Hello world" > %s/temp/dir1/file2.txt' %cur_dir)


    # Create a dictionary describe four mandatory keys:
    # resource, walltime, cpus and project
    # resource is 'local.localhost' to execute locally
    res_dict = {

            'resource': 'local.localhost',
            'walltime': 10,
            'cpus': 1
    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB

    # Create Application Manager
    appman = AppManager(hostname=hostname, port=port)

    # Assign resource manager to the Application Manager
    appman.resource_desc = res_dict

    p = generate_pipeline()

    # Assign the workflow as a set of Pipelines to the Application Manager
    appman.workflow = [p]

    # Run the Application Manager
    appman.run()

    # Assert folder movement
    assert len(glob('/tmp/temp*')) >=1
    assert len(glob('/tmp/temp/dir*')) ==1
    assert len(glob('/tmp/temp/*.txt')) ==1
    assert len(glob('/tmp/temp/dir1/*.txt')) ==1

    # Cleanup
    shutil.rmtree('%s/temp' %cur_dir)
    shutil.rmtree('/tmp/temp')
def test_issue_255():

    def create_pipeline():

        p = Pipeline()

        s = Stage()

        t1 = Task()
        t1.name = 'simulation'
        t1.executable = ['sleep']
        t1.arguments = ['10']

        s.add_tasks(t1)

        p.add_stages(s)

        return p

    res_dict = {

        'resource': 'local.localhost',
        'walltime': 5,
        'cpus': 1,
        'project': ''

    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB

    appman = AppManager(hostname=hostname, port=port, autoterminate=False)
    appman.resource_desc = res_dict

    p1 = create_pipeline()
    appman.workflow = [p1]
    appman.run()

    # p1 = create_pipeline()
    # appman.workflow = [p1]
    # appman.run()

    # appman.resource_terminate()

    tmgr = appman._task_manager

    tmgr.terminate_manager()
    # tmgr.terminate_heartbeat()

    tmgr.start_manager()
def test_shared_data():

    for f in glob('%s/file*.txt' %cur_dir):
        os.remove(f)

    os.system('echo "Hello" > %s/file1.txt' %cur_dir)
    os.system('echo "World" > %s/file2.txt' %cur_dir)


    # Create a dictionary describe four mandatory keys:
    # resource, walltime, cpus and project
    # resource is 'local.localhost' to execute locally
    res_dict = {

            'resource': 'local.localhost',
            'walltime': 1,
            'cpus': 1
    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB

    # Create Application Manager
    appman = AppManager(hostname=hostname, port=port)

    # Assign resource manager to the Application Manager
    appman.resource_desc = res_dict
    appman.shared_data = ['%s/file1.txt' %cur_dir, '%s/file2.txt' %cur_dir]

    p = generate_pipeline()

    # Assign the workflow as a set of Pipelines to the Application Manager
    appman.workflow = [p]

    # Run the Application Manager
    appman.run()

    with open('%s/output.txt' %cur_dir, 'r') as fp:
        assert [d.strip() for d in fp.readlines()] == ['Hello', 'World']

    os.remove('%s/file1.txt' %cur_dir)
    os.remove('%s/file2.txt' %cur_dir)
    os.remove('%s/output.txt' %cur_dir)
def test_integration_local():

    """
    **Purpose**: Run an EnTK application on localhost
    """

    def create_single_task():

        t1 = Task()
        t1.name = 'simulation'
        t1.executable = ['/bin/echo']
        t1.arguments = ['hello']
        t1.copy_input_data = []
        t1.copy_output_data = []

        return t1

    p1 = Pipeline()
    p1.name = 'p1'

    s = Stage()
    s.name = 's1'
    s.tasks = create_single_task()
    s.add_tasks(create_single_task())

    p1.add_stages(s)

    res_dict = {

            'resource': 'local.localhost',
            'walltime': 5,
            'cpus': 1,
            'project': ''

    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB

    appman = AppManager(hostname=hostname, port=port)
    appman.resource_desc = res_dict
    appman.workflow = [p1]
    appman.run()
def test_amgr_assign_shared_data(s,i,b,se):
    amgr = Amgr(rts='radical.pilot', hostname=hostname, port=port)

    res_dict = {

        'resource': 'xsede.supermic',
        'walltime': 30,
        'cpus': 20,
        'project': 'TG-MCB090174'

    }

    amgr.resource_desc = res_dict

    data = [s, i, b, se]

    for d in data:
        with pytest.raises(TypeError):
            amgr.shared_data = d

    amgr.shared_data = ['file1.txt','file2.txt']
    assert amgr._resource_manager.shared_data == ['file1.txt','file2.txt'] 
def test_diff_rmq():

    def create_pipeline():

        p = Pipeline()

        s = Stage()

        t1 = Task()
        t1.name = 'simulation'
        t1.executable = ['/bin/echo']
        t1.arguments = ['hello']
        t1.copy_input_data = []
        t1.copy_output_data = []

        s.add_tasks(t1)

        p.add_stages(s)

        return p
    

    res_dict = {

            'resource': 'local.localhost',
            'walltime': 5,
            'cpus': 1,

    }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB
    appman = AppManager(hostname=hostname, port=port)
    appman.resource_desc = res_dict

    p1 = create_pipeline()
    print p1.uid, p1.stages[0].uid
    appman.workflow = [p1]
    appman.run()
def test_amgr_run_mock():

    p = Pipeline()
    s = Stage()
    t = Task()
    t.name = 'simulation'
    t.executable = ['/bin/date']
    s.tasks = t
    p.add_stages(s)

    res_dict = {

            'resource': 'local.localhost',
            'walltime': 5,
            'cpus': 1,
            'project': ''

    }

    appman = Amgr(hostname=hostname, port=port, rts="mock")
    appman.resource_desc = res_dict

    appman.workflow = [p]
    appman.run()
                        }

        # Add Stage to the Pipeline
        p.add_stages(s1)

    return p

if __name__ == '__main__':

    # Create a dictionary describe four mandatory keys:
    # resource, walltime, cores and project
    # resource is 'local.localhost' to execute locally
    res_dict = {

        'resource': 'local.localhost',
        'walltime': 15,
        'cpus': 2,
    }

    # Create Application Manager
    appman = AppManager()
    appman.resource_desc = res_dict

    p = generate_pipeline()

    # Assign the workflow as a set of Pipelines to the Application Manager
    appman.workflow = [p]

    # Run the Application Manager
    appman.run()
def test_rp_da_scheduler_bw():

    """
    **Purpose**: Run an EnTK application on localhost
    """

    p1 = Pipeline()
    p1.name = 'p1'

    n = 10

    s1 = Stage()
    s1.name = 's1'
    for x in range(n):
        t = Task()
        t.name = 't%s'%x
        t.executable = ['/bin/hostname']
        t.arguments = ['>','hostname.txt']
        t.cpu_reqs['processes'] = 1
        t.cpu_reqs['threads_per_process'] = 16
        t.cpu_reqs['thread_type'] = ''
        t.cpu_reqs['process_type'] = ''
        t.lfs_per_process = 10
        t.download_output_data = ['hostname.txt > s1_t%s_hostname.txt'%(x)]

        s1.add_tasks(t)

    p1.add_stages(s1)

    s2 = Stage()
    s2.name = 's2'
    for x in range(n):
        t = Task()
        t.executable = ['/bin/hostname']
        t.arguments = ['>','hostname.txt']
        t.cpu_reqs['processes'] = 1
        t.cpu_reqs['threads_per_process'] = 16
        t.cpu_reqs['thread_type'] = ''
        t.cpu_reqs['process_type'] = ''
        t.download_output_data = ['hostname.txt > s2_t%s_hostname.txt'%(x)]
        t.tag = 't%s'%x

        s2.add_tasks(t)


    p1.add_stages(s2)

    res_dict = {
                'resource'      : 'ncsa.bw_aprun',
                'walltime'      : 10,
                'cpus'          : 128,
                'project'       : 'gk4',
                'queue'         : 'high'
            }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB

    appman = AppManager(hostname=hostname, port=port)
    appman.resource_desc = res_dict
    appman.workflow = [p1]
    appman.run()

    for i in range(n):
        assert open('s1_t%s_hostname.txt'%i,'r').readline().strip() == open('s2_t%s_hostname.txt'%i,'r').readline().strip()


    txts = glob('%s/*.txt' % os.getcwd())
    for f in txts:
        os.remove(f)
Пример #17
0
def test_stage_post_exec():

    p1 = Pipeline()
    p1.name = 'p1'

    s = Stage()
    s.name = 's1'

    def create_single_task():

        t1 = Task()
        t1.name = 'simulation'
        t1.executable = '/bin/echo'
        t1.arguments = ['hello']
        t1.copy_input_data = []
        t1.copy_output_data = []

        return t1

    NUM_TASKS = 2
    MAX_STAGES = 5
    CUR_STAGE = 1

    def condition():

        nonlocal CUR_STAGE, MAX_STAGES

        if CUR_STAGE < MAX_STAGES:
            CUR_STAGE += 1
            on_true()

        on_false()

    def on_true():

        nonlocal NUM_TASKS, CUR_STAGE, p1

        NUM_TASKS *= 2

        s = Stage()
        s.name = 's%s' % CUR_STAGE

        for _ in range(NUM_TASKS):
            s.add_tasks(create_single_task())

        s.post_exec = condition

        p1.add_stages(s)

    def on_false():
        pass

    for _ in range(NUM_TASKS):
        s.add_tasks(create_single_task())

    s.post_exec = condition

    p1.add_stages(s)

    res_dict = {
        'resource': 'local.localhost',
        'walltime': 30,
        'cpus': 1,
    }

    appman = AppManager(rts='radical.pilot',
                        hostname=hostname,
                        port=port,
                        username=username,
                        password=password)
    appman.resource_desc = res_dict
    appman.workflow = [p1]
    appman.run()
def test_rp_da_scheduler_bw():

    """
    **Purpose**: Run an EnTK application on localhost
    """

    p1 = Pipeline()
    p1.name = 'p1'

    n = 10

    s1 = Stage()
    s1.name = 's1'
    for x in range(n):
        t = Task()
        t.name = 't%s'%x
        t.executable = '/bin/hostname'
        t.arguments = ['>','hostname.txt']
        t.cpu_reqs['processes'] = 1
        t.cpu_reqs['threads_per_process'] = 16
        t.cpu_reqs['thread_type'] = ''
        t.cpu_reqs['process_type'] = ''
        t.lfs_per_process = 10
        t.download_output_data = ['hostname.txt > s1_t%s_hostname.txt'%(x)]

        s1.add_tasks(t)

    p1.add_stages(s1)

    s2 = Stage()
    s2.name = 's2'
    for x in range(n):
        t = Task()
        t.executable = '/bin/hostname'
        t.arguments = ['>','hostname.txt']
        t.cpu_reqs['processes'] = 1
        t.cpu_reqs['threads_per_process'] = 16
        t.cpu_reqs['thread_type'] = ''
        t.cpu_reqs['process_type'] = ''
        t.download_output_data = ['hostname.txt > s2_t%s_hostname.txt'%(x)]
        t.tag = 't%s'%x

        s2.add_tasks(t)


    p1.add_stages(s2)

    res_dict = {
                'resource'      : 'ncsa.bw_aprun',
                'walltime'      : 10,
                'cpus'          : 128,
                'project'       : 'gk4',
                'queue'         : 'high'
            }

    os.environ['RADICAL_PILOT_DBURL'] = MLAB

    appman = AppManager(hostname=hostname, port=port)
    appman.resource_desc = res_dict
    appman.workflow = [p1]
    appman.run()

    for i in range(n):
        assert open('s1_t%s_hostname.txt'%i,'r').readline().strip() == open('s2_t%s_hostname.txt'%i,'r').readline().strip()


    txts = glob('%s/*.txt' % os.getcwd())
    for f in txts:
        os.remove(f)
Пример #19
0
def workflow(cmt_filename, param_path):
    """This function submits the complete workflow

    :param cmt_filename: str containing the path to the cmt solution that is
                      supposed to be inverted for

    Usage:
        ```bash
        python 1pipeline <path/to/cmtsolution>
        ```

    """

    # Get Database parameters
    databaseparam_path = os.path.join(param_path,
                                      "Database/DatabaseParameters.yml")
    DB_params = read_yaml_file(databaseparam_path)

    # Earthquake specific database parameters: Dir and Cid
    Cdir, Cid = get_Centry_path(DB_params["databasedir"], cmt_filename)

    # Earthquake file in the database
    cmt_file_db = os.path.join(Cdir, "C" + Cid + ".cmt")

    # Create a counter for all tasks in one pipeline
    task_counter = 0

    # Create a Pipeline object
    p = Pipeline()

    if HEADNODE_AVAILABLE:
        # ---- Create Database Entry --------------------------------------------- #

        # Create Database entry stage:
        database_entry_stage, task_counter = create_entry(
            cmt_filename, param_path, task_counter)

        # Add Stage to the Pipeline
        p.add_stages(database_entry_stage)

        # ---- REQUEST DATA ------------------------------------------------- #

        # # Request data stage
        # datarequest_stage, task_counter = data_request(cmt_file_db,
        #                                                param_path,
        #                                                task_counter)
        #
        # # Add Stage to the Pipeline
        # p.add_stages(datarequest_stage)

    else:

        # Create the entry now before running the pipeline
        task_counter = call_create_entry(cmt_filename, param_path,
                                         task_counter)

        # # # Download the data from the headnode before running the pipeline
        # task_counter = call_download_data(cmt_file_db, param_path,
        #                                   task_counter)

    # ---- Write Sources ---------------------------------------------------- #

    # # Create Source modification stage
    # w_sources_stage, task_counter = write_sources(cmt_file_db, param_path,
    #                                               task_counter)
    #
    # # Add Stage to the Pipeline
    # p.add_stages(w_sources_stage)

    # ---- Run Specfem ------------------------------------------------------ #

    # # Create Specfem Stage
    # runSF3D_stage, task_counter = run_specfem(cmt_file_db,
    #                                           param_path,
    #                                           task_counter)
    #
    # # Add Simulation stage to the Pipeline
    # p.add_stages(runSF3D_stage)
    #
    # # ---- Clean Up Specfem ------------------------------------------------- #
    #
    # # Create clean_up stage
    # clean_up_stage, task_counter = specfem_clean_up(cmt_file_db,
    #                                                 param_path,
    #                                                 task_counter)
    #
    # # Add Stage to the Pipeline
    # p.add_stages(clean_up_stage)

    # ---- Convert to ASDF -------------------------------------------------- #

    # Create conversion stage
    conversion_stage, task_counter = convert_traces(cmt_file_db, param_path,
                                                    task_counter)

    # Add stage to pipeline
    p.add_stages(conversion_stage)

    # ---- Create Process Path files ---------------------------------------- #

    # Create Process Stage Pipeline
    process_path_stage, task_counter = create_process_path_files(
        cmt_file_db, param_path, task_counter)

    p.add_stages(process_path_stage)

    # ---- Process Traces --------------------------------------------------- #

    # Create processing stage
    processing_stages, task_counter = create_processing_stage(
        cmt_file_db, param_path, task_counter)
    for stage in processing_stages:
        p.add_stages(stage)

    # ---- Window Traces ---------------------------------------------------- #

    # Create processing stage
    windowing_stages, task_counter = create_windowing_stage(
        cmt_file_db, param_path, task_counter)
    for windowing_stage in windowing_stages:
        p.add_stages(windowing_stage)

    # ---- Create Inversion Dictionaries------------------------------------- #

    # Create processing stage
    inv_dict_stage, task_counter = create_inversion_dict_stage(
        cmt_file_db, param_path, task_counter)

    p.add_stages(inv_dict_stage)

    # ---- Inversion -------------------------------------------------------- #

    # Create processing stage
    inversion_stage = create_inversion_stage(cmt_file_db, param_path,
                                             task_counter)

    p.add_stages(inversion_stage)

    # ============== RUNNING THE PIPELINE ==================================== #

    # Create Application Manager
    appman = AppManager(hostname=hostname, port=port)

    # Compute the necessary walltime from walltime/per simulation
    # Load parameters
    specfem_specs = read_yaml_file(
        os.path.join(param_path, "SpecfemParams/SpecfemParams.yml"))

    # Get twalltime from walltime specification in the parameter file.
    walltime_per_simulation = specfem_specs["walltime"].split(":")
    hours_in_min = float(walltime_per_simulation[0]) * 60
    min_in_min = float(walltime_per_simulation[1])
    sec_in_min = float(walltime_per_simulation[2]) / 60

    cpus = int(specfem_specs["cpus"])
    tasks = int(specfem_specs["tasks"])

    # Add times to get full simulation time. The 45 min are accounting for
    # everything that is not simulation time
    total_min = int(1/math.ceil(float(cpus)/40) \
        * 10 * int(round(hours_in_min + min_in_min + sec_in_min)) + 45)

    # Create a dictionary describe four mandatory keys:
    # resource, walltime, cpus etc.
    # resource is "local.localhost" to execute locally
    # Define which resources to get depending on how specfem is run!
    if specfem_specs["GPU_MODE"] is False:
        # res_dict_cpu = {
        #     "resource": "princeton.tiger_cpu",
        #     "project": "geo",
        #     "queue": "cpu",
        #     "schema": "local",
        #     "walltime": total_min,
        #     "cpus": int(specfem_specs["cpus"]),
        # }
        res_dict_cpu = {
            "resource": "princeton.tiger_cpu",
            "project": "geo",
            "queue": "cpu",
            "schema": "local",
            "walltime": 45,
            "cpus": 20
        }
    else:
        res_dict_gpu = {
            "resource": "princeton.tiger_gpu",
            "project": "geo",
            "queue": "gpu",
            "schema": "local",
            "walltime": 300,
            "cpus": int(specfem_specs["cpus"]),
            "gpus": int(specfem_specs["gpus"])
        }

    # Assign resource request description to the Application Manager
    appman.resource_desc = res_dict_cpu

    # Assign the workflow as a set or list of Pipelines to the Application Manager
    # Note: The list order is not guaranteed to be preserved
    appman.workflow = set([p])

    # Run the Application Manager
    appman.run()
Пример #20
0
def run_experiment(exp_dir, debug_mode):

    # Initialize a list for pipelines
    pipelines = []

    # Define the configuration and resource file names
    rfile = os.path.join(exp_dir, "resource.yml")
    cfile = os.path.join(exp_dir, "config.yml")

    # Does the experiment configuration file exist?
    if not os.path.isfile(cfile):
        print('{} does not exist'.format(cfile))
        sys.exit(1)

    # Does the resource file exist?
    if not os.path.isfile(rfile):
        print('{} does not exist'.format(rfile))
        sys.exit(1)

    # Load the resource and experiment configuration files
    with open(rfile, 'r') as fp:
        rcfg = yaml.safe_load(fp)
    with open(cfile, 'r') as fp:
        ecfg = yaml.safe_load(fp)

    # Does the output directory exist? If not, make it
    try:
        os.makedirs(os.path.join(exp_dir, "output"))
    except OSError as e:
        if e.errno != errno.EEXIST:
            raise

    # Reserved configuration entries
    reserved_econfig_entries = [
        "global-options", "total-options", "extremesealevel-options"
    ]

    # Are there global options?
    if "global-options" in ecfg.keys():
        global_options = ecfg["global-options"]
    else:
        global_options = {}

    # Loop through the user-requested modules
    for this_mod in ecfg.keys():

        # Skip this entry if it's not associated with SLR projection workflow
        if this_mod in reserved_econfig_entries:
            continue

        # Load the pipeline configuration file for this module
        pcfg_file = os.path.join(os.path.dirname(__file__), "modules",
                                 ecfg[this_mod]['module_set'],
                                 ecfg[this_mod]['module'], "pipeline.yml")
        if not os.path.isfile(pcfg_file):
            print('{} does not exist'.format(pcfg_file))
            sys.exit(1)
        with open(pcfg_file, 'r') as fp:
            pcfg = yaml.safe_load(fp)

        # Append the global options to this module
        ecfg[this_mod]["options"].update(global_options)

        # Generate a pipeline for this module
        pipe_name = "-".join(
            (this_mod, ecfg[this_mod]['module_set'], ecfg[this_mod]['module']))
        pipelines.append(
            GeneratePipeline(pcfg, ecfg[this_mod], pipe_name, exp_dir))

    # Print out PST info if in debug mode
    if debug_mode:
        for p in pipelines:
            print("Pipeline {}:".format(p.name))
            print("################################")
            pprint(p.to_dict())
            for s in p.stages:
                print("Stage {}:".format(s.name))
                print("============================")
                pprint(s.to_dict())
                for t in s.tasks:
                    print("Task {}:".format(t.name))
                    print("----------------------------")
                    pprint(t.to_dict())

        # Exit
        sys.exit(0)

    # Initialize the EnTK App Manager
    amgr = AppManager(hostname=rcfg['rabbitmq']['hostname'],
                      port=rcfg['rabbitmq']['port'],
                      autoterminate=False)

    # Apply the resource configuration provided by the user
    res_desc = {
        'resource': rcfg['resource-desc']['name'],
        'walltime': rcfg['resource-desc']['walltime'],
        'cpus': rcfg['resource-desc']['cpus'],
        'queue': rcfg['resource-desc']['queue'],
        'project': rcfg['resource-desc']['project']
    }
    amgr.resource_desc = res_desc

    # Assign the list of pipelines to the workflow
    amgr.workflow = pipelines
    amgr.terminate()

    return (None)
Пример #21
0
        # self.arguments = ['-c', '24', '-t', '600']
        # self.arguments = ['.sh file']
        # t.parameters = parameter
        t.cpu_reqs = {
            'processes': 1,
            'thread_type': None,
            'threads_per_process': 24,
            'process_type': None
        }

        s.add_tasks(t)

    p.add_stages(s)
    pipelines.add(p)

    # Resource and AppManager
    amgr = AppManager(hostname='two.radical-project.org', port=33048)
    amgr.workflow = pipelines
    amgr.shared_data = []

    amgr.resource_desc = {
        'resource': 'xsede.comet',
        'project': 'unc100',
        'queue': 'compute',
        'walltime': duration,
        'cpus': (len(hparams)**2) * 24,
        'access_schema': 'gsissh'
    }

    amgr.run()
            #'%s/run_openmm.py' % Kconfig.helper_scripts,
            #'%s/pre_analyze.py' % Kconfig.helper_scripts,
            '%s/pre_analyze_openmm.py' % Kconfig.helper_scripts,
            '%s/post_analyze.py' % Kconfig.helper_scripts,
            #'%s/selection.py' % Kconfig.helper_scripts,
            '%s/selection-cluster.py' % Kconfig.helper_scripts,
            '%s/reweighting.py' % Kconfig.helper_scripts
        ]

        #if Kconfig.ndx_file is not None:
        #    rman.shared_data.append(Kconfig.ndx_file)

        # Create Application Manager, only one extasy script on one rabbit-mq server now
        appman = AppManager(hostname='two.radical-project.org',
                            port=33134)  #port=args.port)
        appman.resource_desc = res_dict  # appman = AppManager(port=) # if using docker, specify port here.

        # Assign resource manager to the Application Manager
        #appman.resource_manager = rman
        appman.shared_data = shared_data_all

        # Assign the workflow as a set of Pipelines to the Application Manager
        #appman.assign_workflow(wf)
        appman.workflow = set([wf])

        # Run the Application Manager
        appman.run()

    except Exception as ex:

        print 'Error: {0}'.format(str(ex))
Пример #23
0
def main(cmt_filename):
    '''This tiny function runs shit

    Args:
        cmt_filename: str containing the path to the cmt solution that is
                      supposed to be inverted for

    Usage:
        From the commandline:
            python pipeline <path/to/cmtsolution>

    '''

    # Path to pipeline file
    pipelinepath = os.path.abspath(__file__)
    pipelinedir = os.path.dirname(pipelinepath)

    # Define parameter directory
    param_path = os.path.join(os.path.dirname(pipelinedir), "params")
    databaseparam_path = os.path.join(param_path,
                                      "Database/DatabaseParameters.yml")
    DB_params = read_yaml_file(databaseparam_path)
    print(DB_params)

    # Earthquake specific database parameters
    # Dir and eq_id
    eq_dir, eq_id = get_eq_entry_path(DB_params["databasedir"], cmt_filename)
    # Earthquake file in the database
    cmt_file_db = os.path.join(eq_dir, "eq_" + eq_id + ".cmt")

    # Create a Pipeline object
    p = Pipeline()

    # ---- DATABASE ENTRY TASK ---------------------------------------------- #

    # Path to function
    create_database_func = os.path.join(pipelinedir,
                                        "01_Create_Database_Entry.py")

    # Create a Stage object
    database_entry = Stage()

    t1 = Task()
    t1.name = 'database-entry'
    t1.pre_exec = [  # Conda activate
        DB_params["conda-activate"]
    ]
    t1.executable = [DB_params['bin-python']]  # Assign executable to the task
    t1.arguments = [create_database_func, os.path.abspath(cmt_filename)]

    # In the future maybe to database dir as a total log?
    t1.stdout = os.path.join(pipelinedir,
                             "database-entry." + eq_id + ".stdout")
    t1.stderr = os.path.join(pipelinedir,
                             "database-entry." + eq_id + ".stderr")

    # Add Task to the Stage
    database_entry.add_tasks(t1)

    # Add Stage to the Pipeline
    p.add_stages(database_entry)

    # # ---- REQUEST DATA ----------------------------------------------------- #
    #
    # # Path to function
    # request_data_func = os.path.join(pipelinedir, "02_Request_Data.py")
    #
    # # Create a Stage object
    # datarequest = Stage()
    #
    # datarequest_t = Task()
    # datarequest_t.name = 'data-request'
    # datarequest_t.pre_exec = [  # Conda activate
    #     DB_params["conda-activate"]]
    # datarequest_t.executable = [DB_params['bin-python']]  # Assign executable
    #                                                       # to the task
    # datarequest_t.arguments = [request_data_func, cmt_file_db]
    #
    # # In the future maybe to database dir as a total log?
    # datarequest_t.stdout = os.path.join(pipelinedir,
    #                                   "datarequest." + eq_id + ".stdout")
    # datarequest_t.stderr = os.path.join(pipelinedir,
    #                                   "datarequest." + eq_id + ".stderr")
    #
    # # Add Task to the Stage
    # datarequest.add_tasks(datarequest_t)
    #
    # # Add Stage to the Pipeline
    # p.add_stages(datarequest)

    # ---- Write Sources ---------------------------------------------------- #

    # Path to function
    write_source_func = os.path.join(pipelinedir, "03_Write_Sources.py")

    # Create a Stage object
    w_sources = Stage()
    w_sources.name = 'Write-Sources'

    # Create Task for stage
    w_sources_t = Task()
    w_sources_t.name = 'Write-Sources'
    w_sources_t.pre_exec = [  # Conda activate
        DB_params["conda-activate"]
    ]
    w_sources_t.executable = [DB_params['bin-python']]  # Assign executable
    # to the task
    w_sources_t.arguments = [write_source_func, cmt_file_db]

    # In the future maybe to database dir as a total log?
    w_sources_t.stdout = os.path.join(pipelinedir,
                                      "write_sources." + eq_id + ".stdout")
    w_sources_t.stderr = os.path.join(pipelinedir,
                                      "write_sources." + eq_id + ".stderr")

    # Add Task to the Stage
    w_sources.add_tasks(w_sources_t)

    # Add Stage to the Pipeline
    p.add_stages(w_sources)

    # ---- Run Specfem ----------------------------------------------------- #

    specfemspec_path = os.path.join(param_path,
                                    "SpecfemParams/SpecfemParams.yml")
    comp_and_modules_path = os.path.join(
        param_path, "SpecfemParams/"
        "CompilersAndModules.yml")

    # Load Parameters
    specfemspecs = read_yaml_file(specfemspec_path)
    cm_dict = read_yaml_file(comp_and_modules_path)

    attr = [
        "CMT", "CMT_rr", "CMT_tt", "CMT_pp", "CMT_rt", "CMT_rp", "CMT_tp",
        "CMT_depth", "CMT_lat", "CMT_lon"
    ]

    simdir = os.path.join(eq_dir, "CMT_SIMs")

    # Create a Stage object
    runSF3d = Stage()
    runSF3d.name = 'Simulation'

    for at in attr[0]:
        sf_t = Task()
        sf_t.name = 'run-' + at

        # Module Loading
        sf_t.pre_exec = [  # Get rid of existing modules
            'module purge'
        ]
        for module in cm_dict["modulelist"]:
            sf_t.pre_exec.append("module load %s" % module)
        sf_t.pre_exec.append("module load %s" % cm_dict["gpu_module"])

        # Change directory to specfem directories
        sf_t.pre_exec.append(  # Change directory
            "cd %s" % os.path.join(simdir, at))

        sf_t.executable = ['./bin/xspecfem3D']  # Assign executable

        # In the future maybe to database dir as a total log?
        sf_t.stdout = os.path.join(pipelinedir,
                                   "run_specfem." + eq_id + ".stdout")
        sf_t.stderr = os.path.join(pipelinedir,
                                   "run_specfem." + eq_id + ".stderr")

        sf_t.gpu_reqs = {
            'processes': 6,
            'process_type': 'MPI',
            'threads_per_process': 1,
            'thread_type': 'OpenMP'
        }

        # Add Task to the Stage
        runSF3d.add_tasks(sf_t)

    # Add Simulation stage to the Pipeline
    p.add_stages(runSF3d)

    # Create Application Manager
    appman = AppManager(hostname=hostname, port=port)

    # Create a dictionary describe four mandatory keys:
    # resource, walltime, and cpus
    # resource is 'local.localhost' to execute locally
    res_dict = {
        'resource': 'princeton.tiger_gpu',
        'project': 'geo',
        'queue': 'gpu',
        'schema': 'local',
        'walltime': 300,
        'cpus': 2,
        'gpus': 6
    }

    # Assign resource request description to the Application Manager
    appman.resource_desc = res_dict

    # Assign the workflow as a set or list of Pipelines to the Application Manager
    # Note: The list order is not guaranteed to be preserved
    appman.workflow = set([p])

    # Run the Application Manager
    appman.run()
Пример #24
0
def run():
	
	# Initialize the EnTK App Manager
	amgr = AppManager(hostname="localhost", port=5672)
	
	# Apply the resource configuration provided by the user
	res_desc = {'resource': "rutgers.amarel",
		'walltime': 60,
		'cpus': 4,
		'queue': "kopp_1",
		'project': "",
		'schema': "local"}
	amgr.resource_desc = res_desc
	
	# Push the input data to the shared directory
	amgr.shared_data = ['CMIP6_CanESM5_Omon_piControl_r1i1p1f1_zos_6000-6199.nc', 'xarray_script.py']
	
	# New pipeline
	p1 = Pipeline()
	p1.name = "Test-pipeline1"
	p2 = Pipeline()
	p2.name = "Test-pipeline2"
	
	# First stage with two tasks
	s1 = Stage()
	s1.name = "Test-stage1"
	
	s2 = Stage()
	s2.name = "Test-stage2"
	
	t1 = Task()
	t1.name = "Test-task1"
	t1.pre_exec = ["pip3 install --upgrade; pip3 install pandas zarr cftime toolz \"dask[complete]\" bottleneck xarray"]
	t1.executable = 'python3'
	t1.arguments = ['xarray_script.py']
	t1.copy_input_data = ["$SHARED/CMIP6_CanESM5_Omon_piControl_r1i1p1f1_zos_6000-6199.nc", "$SHARED/xarray_script.py"]
	t1.download_output_data = ["test_netcdf_file.nc > test_netcdf_file1.nc"]
	
	t2 = copy.deepcopy(t1)
	t2.name = "Test-task2"
	t2.download_output_data = ["test_netcdf_file.nc > test_netcdf_file2.nc"]
	
	t3 = copy.deepcopy(t1)
	t3.name = "Test-task3"
	t3.download_output_data = ["test_netcdf_file.nc > test_netcdf_file3.nc"]
	
	t4 = copy.deepcopy(t1)
	t4.name = "Test-task4"
	t4.download_output_data = ["test_netcdf_file.nc > test_netcdf_file4.nc"]
	
	# Assign tasks and stages to pipeline
	s1.add_tasks(t1)
	s1.add_tasks(t2)
	p1.add_stages(s1)
	
	s2.add_tasks(t3)
	s2.add_tasks(t4)
	p2.add_stages(s2)
	
	# Assign the pipeline to the workflow and run
	amgr.workflow = [p1, p2]
	amgr.run()
	
	# Done
	return(None)
Пример #25
0
def test_write_session_description():

    hostname = os.environ.get('RMQ_HOSTNAME', 'localhost')
    port = int(os.environ.get('RMQ_PORT', 5672))
    amgr = AppManager(hostname=hostname, port=port)
    amgr.resource_desc = {
        'resource': 'xsede.stampede',
        'walltime': 60,
        'cpus': 128,
        'gpus': 64,
        'project': 'xyz',
        'queue': 'high'
    }

    workflow = [generate_pipeline(1), generate_pipeline(2)]
    amgr.workflow = workflow

    amgr._wfp = WFprocessor(sid=amgr._sid,
                            workflow=amgr._workflow,
                            pending_queue=amgr._pending_queue,
                            completed_queue=amgr._completed_queue,
                            mq_hostname=amgr._mq_hostname,
                            port=amgr._port,
                            resubmit_failed=amgr._resubmit_failed)
    amgr._wfp._initialize_workflow()
    amgr._workflow = amgr._wfp.workflow

    amgr._task_manager = TaskManager(sid=amgr._sid,
                                     pending_queue=amgr._pending_queue,
                                     completed_queue=amgr._completed_queue,
                                     mq_hostname=amgr._mq_hostname,
                                     rmgr=amgr._resource_manager,
                                     port=amgr._port)

    # os.mkdir(amgr._sid)

    write_session_description(amgr)

    desc = ru.read_json('%s/radical.entk.%s.json' % (amgr._sid, amgr._sid))

    assert desc == {
        'config': {},
        'entities': {
            'appmanager': {
                'event_model': {},
                'state_model': None,
                'state_values': None
            },
            'pipeline': {
                'event_model': {},
                'state_model': {
                    'CANCELED': 9,
                    'DESCRIBED': 1,
                    'DONE': 9,
                    'FAILED': 9,
                    'SCHEDULING': 2
                },
                'state_values': {
                    '1': 'DESCRIBED',
                    '2': 'SCHEDULING',
                    '9': ['DONE', 'CANCELED', 'FAILED']
                }
            },
            'stage': {
                'event_model': {},
                'state_model': {
                    'CANCELED': 9,
                    'DESCRIBED': 1,
                    'DONE': 9,
                    'FAILED': 9,
                    'SCHEDULED': 3,
                    'SCHEDULING': 2
                },
                'state_values': {
                    '1': 'DESCRIBED',
                    '2': 'SCHEDULING',
                    '3': 'SCHEDULED',
                    '9': ['FAILED', 'CANCELED', 'DONE']
                }
            },
            'task': {
                'event_model': {},
                'state_model': {
                    'CANCELED': 9,
                    'DEQUEUED': 8,
                    'DEQUEUEING': 7,
                    'DESCRIBED': 1,
                    'DONE': 9,
                    'EXECUTED': 6,
                    'FAILED': 9,
                    'SCHEDULED': 3,
                    'SCHEDULING': 2,
                    'SUBMITTED': 5,
                    'SUBMITTING': 4
                },
                'state_values': {
                    '1': 'DESCRIBED',
                    '2': 'SCHEDULING',
                    '3': 'SCHEDULED',
                    '4': 'SUBMITTING',
                    '5': 'SUBMITTED',
                    '6': 'EXECUTED',
                    '7': 'DEQUEUEING',
                    '8': 'DEQUEUED',
                    '9': ['DONE', 'CANCELED', 'FAILED']
                }
            }
        },
        'tree': {
            'appmanager.0000': {
                'cfg': {},
                'children': [
                    'wfprocessor.0000', 'resource_manager.0000',
                    'task_manager.0000', 'pipeline.0000', 'pipeline.0001'
                ],
                'etype':
                'appmanager',
                'has': [
                    'pipeline', 'wfprocessor', 'resource_manager',
                    'task_manager'
                ],
                'uid':
                'appmanager.0000'
            },
            'pipeline.0000': {
                'cfg': {},
                'children': ['stage.0000', 'stage.0001'],
                'etype': 'pipeline',
                'has': ['stage'],
                'uid': 'pipeline.0000'
            },
            'pipeline.0001': {
                'cfg': {},
                'children': ['stage.0002', 'stage.0003'],
                'etype': 'pipeline',
                'has': ['stage'],
                'uid': 'pipeline.0001'
            },
            'resource_manager.0000': {
                'cfg': {},
                'children': [],
                'etype': 'resource_manager',
                'has': [],
                'uid': 'resource_manager.0000'
            },
            'stage.0000': {
                'cfg': {},
                'children': ['task.0000'],
                'etype': 'stage',
                'has': ['task'],
                'uid': 'stage.0000'
            },
            'stage.0001': {
                'cfg': {},
                'children': [
                    'task.0001', 'task.0002', 'task.0003', 'task.0004',
                    'task.0005', 'task.0006', 'task.0007', 'task.0008',
                    'task.0009', 'task.0010'
                ],
                'etype':
                'stage',
                'has': ['task'],
                'uid':
                'stage.0001'
            },
            'stage.0002': {
                'cfg': {},
                'children': ['task.0011'],
                'etype': 'stage',
                'has': ['task'],
                'uid': 'stage.0002'
            },
            'stage.0003': {
                'cfg': {},
                'children': [
                    'task.0012', 'task.0013', 'task.0014', 'task.0015',
                    'task.0016', 'task.0017', 'task.0018', 'task.0019',
                    'task.0020', 'task.0021'
                ],
                'etype':
                'stage',
                'has': ['task'],
                'uid':
                'stage.0003'
            },
            'task.0000': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0000'
            },
            'task.0001': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0001'
            },
            'task.0002': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0002'
            },
            'task.0003': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0003'
            },
            'task.0004': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0004'
            },
            'task.0005': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0005'
            },
            'task.0006': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0006'
            },
            'task.0007': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0007'
            },
            'task.0008': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0008'
            },
            'task.0009': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0009'
            },
            'task.0010': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0010'
            },
            'task.0011': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0011'
            },
            'task.0012': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0012'
            },
            'task.0013': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0013'
            },
            'task.0014': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0014'
            },
            'task.0015': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0015'
            },
            'task.0016': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0016'
            },
            'task.0017': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0017'
            },
            'task.0018': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0018'
            },
            'task.0019': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0019'
            },
            'task.0020': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0020'
            },
            'task.0021': {
                'cfg': {},
                'children': [],
                'etype': 'task',
                'has': [],
                'uid': 'task.0021'
            },
            'task_manager.0000': {
                'cfg': {},
                'children': [],
                'etype': 'task_manager',
                'has': [],
                'uid': 'task_manager.0000'
            },
            'wfprocessor.0000': {
                'cfg': {},
                'children': [],
                'etype': 'wfprocessor',
                'has': [],
                'uid': 'wfprocessor.0000'
            }
        }
    }

    shutil.rmtree(amgr._sid)
Пример #26
0
def main():

    # Get/Set radical configuration attributes
    if os.environ.get("RADICAL_ENTK_VERBOSE") == None:
        os.environ["RADICAL_ENTK_REPORT"] = "True"

    hostname = os.environ.get("RMQ_HOSTNAME", "localhost")
    port = os.environ.get("RMQ_PORT", 5672)
    username = os.environ.get("RMQ_USERNAME")
    password = os.environ.get("RMQ_PASSWORD")

    # Input argument parsing
    parser = argparse.ArgumentParser("Launch icemodel ensemble")
    parser.add_argument("executable",
                        type=str,
                        help="location of the model executable")
    parser.add_argument("clifvmax_step",
                        type=int,
                        help="CLIFVMAX paramater range step value")
    parser.add_argument("crevliq_step",
                        type=int,
                        help="CREVLIQ paramater range step value")
    parser.add_argument(
        "param_space",
        type=int,
        help=
        "The size of the 2d parameter space (e.g. <param_space>X<param_space))",
    )
    parser.add_argument(
        "resource_reqs",
        type=argparse.FileType("r"),
        help="Resource requirements json",
    )
    args = parser.parse_args()

    # Create iterable objects for the range of values possible for CLIFFMAX and CREVLIQ
    clifvmax_range = range(0, args.clifvmax_step * args.param_space,
                           args.clifvmax_step)
    crevliq_range = range(0, args.crevliq_step * args.param_space,
                          args.crevliq_step)

    # Setting up the pipeline
    # Create a Pipeline object
    p = Pipeline()

    # Create a Stage object
    s1 = Stage()

    # Add tasks to stage
    add_tasks(crevliq_range, clifvmax_range, s1, args.executable)

    # Add Stage to the Pipeline
    p.add_stages(s1)

    # Create Application Manager
    appman = AppManager(hostname=hostname,
                        port=port,
                        username=username,
                        password=password)

    # Assign the workflow as a set or list of Pipelines to the Application Manager
    appman.workflow = set([p])

    # Load resource requirements file for running on Bridges
    res_dict = json.load(args.resource_reqs)

    # Assign resource request description to the Application Manager
    appman.resource_desc = res_dict

    # Run the Application Manager
    appman.run()
Пример #27
0
    # resource is 'local.localhost' to execute locally
    res_dict = {
        'resource': 'ornl.summit',
        'queue': queue,
        'schema': 'local',
        'walltime': 60 * hrs_wt,
        'cpus': N_jobs_MD * 7,
        'gpus': N_jobs_MD,  #6*2 ,
        'project': proj_id
    }

    # Create Application Manager
    # appman = AppManager()
    appman = AppManager(hostname=os.environ.get('RMQ_HOSTNAME'),
                        port=int(os.environ.get('RMQ_PORT')))
    appman.resource_desc = res_dict

    p1 = generate_training_pipeline()
    # p2 = generate_MDML_pipeline()

    pipelines = []
    pipelines.append(p1)
    # pipelines.append(p2)

    # Assign the workflow as a list of Pipelines to the Application Manager. In
    # this way, all the pipelines in the list will execute concurrently.
    appman.workflow = pipelines

    # Run the Application Manager
    appman.run()
Пример #28
0
        raise ValueError(
            "Invalid RMQ environment. Please see README.md for configuring environment."
        )

    # Calculate total number of nodes required. Assumes 1 MD job per GPU
    # TODO: fix this assumption for NAMD
    num_full_nodes, extra_gpus = divmod(cfg.molecular_dynamics_stage.num_tasks,
                                        cfg.gpus_per_node)
    extra_node = int(extra_gpus > 0)
    num_nodes = max(1, num_full_nodes + extra_node)

    appman.resource_desc = {
        "resource": cfg.resource,
        "queue": cfg.queue,
        "schema": cfg.schema_,
        "walltime": cfg.walltime_min,
        "project": cfg.project,
        "cpus": cfg.cpus_per_node * cfg.hardware_threads_per_cpu * num_nodes,
        "gpus": cfg.gpus_per_node * num_nodes,
    }

    pipeline_manager = PipelineManager(cfg)
    # Back up configuration file (PipelineManager must create cfg.experiment_dir)
    shutil.copy(args.config, cfg.experiment_directory)

    pipelines = pipeline_manager.generate_pipelines()
    # Assign the workflow as a list of Pipelines to the Application Manager.
    # All the pipelines in the list will execute concurrently.
    appman.workflow = pipelines

    # Run the Application Manager
Пример #29
0
    res_dict = {
        'resource': 'xsede.supermic',
        'walltime': 30,
        'cpus': total_cores,
        'project': 'TG-MCB090174',
        'access_schema': 'gsissh'
    }

    # Download analysis file from MobleyLab repo
    os.system(
        'curl -O https://raw.githubusercontent.com/MobleyLab/alchemical-analysis/master/alchemical_analysis/alchemical_analysis.py'
    )

    # Create Application Manager
    amgr = AppManager(port=33231, hostname='two.radical-project.org')
    amgr.resource_desc = res_dict

    # Assign resource manager to the Application Manager
    amgr.shared_data = [
        './CB7G3.gro', './CB7G3.ndx', './CB7G3.top', './CB7G3_template.mdp',
        './analysis_1.py', './analysis_2.py', './determine_convergence.py',
        './alchemical_analysis.py', './3atomtypes.itp', './3_GMX.itp',
        './cucurbit_7_uril_GMX.itp'
    ]

    # Assign the workflow as a set of Pipelines to the Application Manager
    amgr.workflow = pipelines

    # Run the Application Manager
    amgr.run()