CWL in Toil¶
The Common Workflow Language (CWL) is an emerging standard for writing workflows that are portable across multiple workflow engines and platforms. Toil has full support for the CWL v1.0.1 specification.
Running CWL Locally¶
The toil-cwl-runner command provides cwl-parsing functionality using cwltool, and leverages the job-scheduling and batch system support of Toil.
To run in local batch mode, provide the CWL file and the input object file:
$ toil-cwl-runner example.cwl example-job.yml
For a simple example of CWL with Toil see Running a basic CWL workflow.
Note for macOS + Docker + Toil¶
When invoking CWL documents that make use of Docker containers if you see errors that look like
docker: Error response from daemon: Mounts denied:
The paths /var/...tmp are not shared from OS X and are not known to Docker.
you may need to add
export TMPDIR=/tmp/docker_tmp
either in your startup file (.bashrc) or add it manually in your shell before invoking
toil.
Detailed Usage Instructions¶
Help information can be found by using this toil command:
$ toil-cwl-runner -h
A more detailed example shows how we can specify both Toil and cwltool arguments for our workflow:
$ toil-cwl-runner \
--singularity \
--jobStore my_jobStore \
--batchSystem lsf \
--workDir `pwd` \
--outdir `pwd` \
--logFile cwltoil.log \
--writeLogs `pwd` \
--logLevel DEBUG \
--retryCount 2 \
--disableCaching \
--maxLogFileSize 20000000000 \
--stats \
standard_bam_processing.cwl \
inputs.yaml
In this example, we set the following options, which are all passed to Toil:
--singularity: Specifies that all jobs with Docker fornat containers
specified should be run using the Singularity container engine instead of the
Docker container engine.
--jobStore: Path to a folder that already exists, which will contain the
Toil jobstore and all related job-tracking information.
--batchSystem: Use the specified HPC or Cloud-based cluster platform.
--workDir: The directory where all temporary files will be created for the
workflow. A subdirectory of this will be set as the $TMPDIR environment
variable and this subdirectory can be referenced using the CWL parameter
reference $(runtime.tmpdir) in CWL tools and workflows.
--outdir: Directory where final File and Directory outputs will be
written. References to these and other output types will be in the JSON object
printed to the stdout stream after workflow execution.
--logFile: Path to the main logfile with logs from all jobs.
--writeLogs: Directory where all job logs will be stored.
--retryCount: How many times to retry each Toil job.
--disableCaching: Currently required for batch systems (LSF, slurm,
gridengine, htcondor, torque)
--maxLogFileSize: Logs that get larger than this value will be truncated.
--stats: Save resources usages in json files that can be collected with the
toil stats command after the workflow is done.
Running CWL in the Cloud¶
To run in cloud and HPC configurations, you may need to provide additional command line parameters to select and configure the batch system to use.
To run a CWL workflow in AWS with toil see Running a CWL Workflow on AWS.
Running CWL within Toil Scripts¶
A CWL workflow can be run indirectly in a native Toil script. However, this is not the standard way to run CWL workflows with Toil and doing so comes at the cost of job efficiency. For some use cases, such as running one process on multiple files, it may be useful. For example, if you want to run a CWL workflow with 3 YML files specifying different samples inputs, it could look something like:
from toil.job import Job
from toil.common import Toil
import subprocess
import os
def initialize_jobs(job):
job.fileStore.logToMaster('initialize_jobs')
def runQC(job, cwl_file, cwl_filename, yml_file, yml_filename, outputs_dir, output_num):
job.fileStore.logToMaster("runQC")
tempDir = job.fileStore.getLocalTempDir()
cwl = job.fileStore.readGlobalFile(cwl_file, userPath=os.path.join(tempDir, cwl_filename))
yml = job.fileStore.readGlobalFile(yml_file, userPath=os.path.join(tempDir, yml_filename))
subprocess.check_call(["toil-cwl-runner", cwl, yml])
output_filename = "output.txt"
output_file = job.fileStore.writeGlobalFile(output_filename)
job.fileStore.readGlobalFile(output_file, userPath=os.path.join(outputs_dir, "sample_" + output_num + "_" + output_filename))
return output_file
if __name__ == "__main__":
options = Job.Runner.getDefaultOptions("./toilWorkflowRun")
options.logLevel = "INFO"
options.clean = "always"
with Toil(options) as toil:
# specify the folder where the cwl and yml files live
inputs_dir = os.path.join(os.path.dirname(os.path.abspath(__file__)), "cwlExampleFiles")
# specify where you wish the outputs to be written
outputs_dir = os.path.join(os.path.dirname(os.path.abspath(__file__)), "cwlExampleFiles")
job0 = Job.wrapJobFn(initialize_jobs)
cwl_filename = "hello.cwl"
cwl_file = toil.importFile("file://" + os.path.abspath(os.path.join(inputs_dir, cwl_filename)))
# add list of yml config inputs here or import and construct from file
yml_files = ["hello1.yml", "hello2.yml", "hello3.yml"]
i = 0
for yml in yml_files:
i = i + 1
yml_file = toil.importFile("file://" + os.path.abspath(os.path.join(inputs_dir, yml)))
yml_filename = yml
job = Job.wrapJobFn(runQC, cwl_file, cwl_filename, yml_file, yml_filename, outputs_dir, output_num=str(i))
job0.addChild(job)
toil.start(job0)
Toil & CWL Tips¶
See logs for just one job by using the full log file
This requires knowing the job’s toil-generated ID, which can be found in the log files.
cat cwltoil.log | grep jobVM1fIs
Grep for full tool commands from toil logs
This gives you a more concise view of the commands being run (note that this information is only available from Toil when running with –logDebug).
pcregrep -M "\[job .*\.cwl.*$\n(.* .*$\n)*" cwltoil.log
# ^allows for multiline matching
Find Bams that have been generated for specific step while pipeline is running:
find . | grep -P '^./out_tmpdir.*_MD\.bam$'
See what jobs have been run
cat log/cwltoil.log | grep -oP "\[job .*.cwl\]" | sort | uniq
or:
cat log/cwltoil.log | grep -i "issued job"
Get status of a workflow
$ toil status /home/johnsoni/TEST_RUNS_3/TEST_run/tmp/jobstore-09ae0acc-c800-11e8-9d09-70106fb1697e
<hostname> 2018-10-04 15:01:44,184 MainThread INFO toil.lib.bioio: Root logger is at level 'INFO', 'toil' logger at level 'INFO'.
<hostname> 2018-10-04 15:01:44,185 MainThread INFO toil.utils.toilStatus: Parsed arguments
<hostname> 2018-10-04 15:01:47,081 MainThread INFO toil.utils.toilStatus: Traversing the job graph gathering jobs. This may take a couple of minutes.
Of the 286 jobs considered, there are 179 jobs with children, 107 jobs ready to run, 0 zombie jobs, 0 jobs with services, 0 services, and 0 jobs with log files currently in file:/home/user/jobstore-09ae0acc-c800-11e8-9d09-70106fb1697e.
Toil Stats
You can get run statistics broken down by CWL file. This only works once the workflow is finished:
$ toil stats /path/to/jobstore
The output will contain CPU, memory, and walltime information for all CWL job types:
<hostname> 2018-10-15 12:06:19,003 MainThread INFO toil.lib.bioio: Root logger is at level 'INFO', 'toil' logger at level 'INFO'.
<hostname> 2018-10-15 12:06:19,004 MainThread INFO toil.utils.toilStats: Parsed arguments
<hostname> 2018-10-15 12:06:19,004 MainThread INFO toil.utils.toilStats: Checking if we have files for toil
<hostname> 2018-10-15 12:06:19,004 MainThread INFO toil.utils.toilStats: Checked arguments
Batch System: lsf
Default Cores: 1 Default Memory: 10485760K
Max Cores: 9.22337e+18
Total Clock: 106608.01 Total Runtime: 86634.11
Worker
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
1659 | 0.00 0.80 264.87 12595.59 439424.40 | 0.00 0.46 449.05 42240.74 744968.80 | -35336.69 0.16 -184.17 4230.65 -305544.39 | 48K 223K 1020K 40235K 1692300K
Job
Worker Jobs | min med ave max
| 1077 1077 1077 1077
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
1077 | 0.04 1.18 407.06 12593.43 438404.73 | 0.01 0.28 691.17 42240.35 744394.14 | -35336.83 0.27 -284.11 4230.49 -305989.41 | 135K 268K 1633K 40235K 1759734K
ResolveIndirect
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
205 | 0.04 0.07 0.16 2.29 31.95 | 0.01 0.02 0.02 0.14 3.60 | 0.02 0.05 0.14 2.28 28.35 | 190K 266K 256K 314K 52487K
CWLGather
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
40 | 0.05 0.17 0.29 1.90 11.62 | 0.01 0.02 0.02 0.05 0.80 | 0.03 0.14 0.27 1.88 10.82 | 188K 265K 250K 316K 10039K
CWLWorkflow
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
205 | 0.09 0.40 0.98 13.70 200.82 | 0.04 0.15 0.16 1.08 31.78 | 0.04 0.26 0.82 12.62 169.04 | 190K 270K 257K 316K 52826K
file:///home/johnsoni/pipeline_0.0.39/ACCESS-Pipeline/cwl_tools/expression_tools/group_waltz_files.cwl
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
99 | 0.29 0.49 0.59 2.50 58.11 | 0.14 0.26 0.29 1.04 28.95 | 0.14 0.22 0.29 1.48 29.16 | 135K 135K 135K 136K 13459K
file:///home/johnsoni/pipeline_0.0.39/ACCESS-Pipeline/cwl_tools/expression_tools/make_sample_output_dirs.cwl
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
11 | 0.34 0.52 0.74 2.63 8.18 | 0.20 0.30 0.41 1.17 4.54 | 0.14 0.20 0.33 1.45 3.65 | 136K 136K 136K 136K 1496K
file:///home/johnsoni/pipeline_0.0.39/ACCESS-Pipeline/cwl_tools/expression_tools/consolidate_files.cwl
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
8 | 0.31 0.59 0.71 1.80 5.69 | 0.18 0.35 0.37 0.63 2.94 | 0.13 0.27 0.34 1.17 2.75 | 136K 136K 136K 136K 1091K
file:///home/johnsoni/pipeline_0.0.39/ACCESS-Pipeline/cwl_tools/bwa-mem/bwa-mem.cwl
Count | Time* | Clock | Wait | Memory
n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total
22 | 895.76 3098.13 3587.34 12593.43 78921.51 | 2127.02 7910.31 8123.06 16959.13 178707.34 | -11049.84 -3827.96 -4535.72 19.49 -99785.83 | 5659K 5950K 5854K 6128K 128807K
Understanding toil log files
There is a worker_log.txt file for each job, this file is written to while the job is running, and deleted after the job finishes. The contents are printed to the main log file and transferred to a log file in the –logDir folder once the job is completed successfully.
The new log file will be named something like:
file:<path to cwl tool>.cwl_<job ID>.log
file:---home-johnsoni-pipeline_1.1.14-ACCESS--Pipeline-cwl_tools-marianas-ProcessLoopUMIFastq.cwl_I-O-jobfGsQQw000.log
This is the toil job command with spaces replaced by dashes.
