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# Connecting Galaxy to a compute cluster
Authors:
Nate Coraor
Björn Grüning
Nicola Soranzo
Helena Rasche
last_modification
Updated: Apr 6, 2021
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Useful when presenting. --- ### <i class="far fa-question-circle" aria-hidden="true"></i><span class="visually-hidden">question</span> Questions - How to connect Galaxy to a compute cluster? - How can I configure job dependent resources, like cores, memory for my DRM? --- ### <i class="fas fa-bullseye" aria-hidden="true"></i><span class="visually-hidden">objectives</span> Objectives - Understand all components of the Galaxy job running stack - Understand how the `job_conf.xml` file controls Galaxy's jobs subsystem - Know how to map tools to job destinations - The various ways in which tools can be mapped to destinations, both statically and dynamically --- # Galaxy Job Configuration - Configured in `config/job_conf.xml` - XML format with macro support - Major components: - **Plugins**: distributed resource manager (DRM) modules to load - **Handlers**: job handler processes managing the lifecycle of jobs - **Destinations**: where to send jobs, and what parameters to run those jobs with - **Tool** to destination/handler mappings - **Resource** selection mappings: give users job execution options on the tool form - **Limits**: job runtime limits, e.g. the max number of concurrent jobs ??? - The job_conf file is a very powerul galaxy configuration piece critical to smooth cluster operation. - Written in XML it connects your server with the available cluster resources. - You can configure it in myriad ways. - Study the advanced sample provided with codebase once you get a basic understanding. - There are several major components of the job conf file. - Plugins, handlers, destinations, tools, resources, and limits. - We'll go into detail on each of these in the tutorial. --- # Why cluster? Running jobs on the Galaxy server negatively impacts Galaxy UI performance Even adding one other host helps Can restart Galaxy without interrupting jobs ??? - Galaxy itself is not resource hungry, but the jobs often are. - Offloading the jobs to different machines is a more sustainable and reliable setup. - This can prevent user jobs from making Galaxy unresponsive. --- # Plugins Correspond to job runner plugins in [lib/galaxy/jobs/runners](https://github.com/galaxyproject/galaxy/tree/dev/lib/galaxy/jobs/runners) .left[Plugins for:] - local - Slurm (DRMAA subclass) - DRMAA: SGE, PBS Pro, LSF, Torque - HTCondor - Torque: Using the `pbs_python` library - Pulsar: Galaxy's own remote job management system - Command Line Interface (CLI) via SSH - Kubernetes - Go-Docker - Chronos ??? - Galaxy supports plugins for various job runners covering most of the popular DRMs. - The Galaxy community also maintains its own job management system called Pulsar. - If the scheduler you use is missing, talk to us! --- # Cluster library stack (DRMAA) ![Cluster library stack](../../images/cluster_lib_stack.png) ??? - The cluster library stack we use in this tutorial will use DRMAA. - DRMAA is an interface that many distributed resource managers provide. - Galaxy can use DRMAA to interact with these in an agnostic manner. - However, there are more underlying technologies that you are going to depend on. - You don't need to have an in-depth understanding to run cluster deployment correctly. --- # Handlers Define which Galaxy processes are job handlers - `id` attribute should match the `--server-name` param value of a process - Dedicated handlers can be reserved, e.g. for small, high throughput jobs - The list of plugins that are loaded by a job handler can be limited using `<plugin>` subelements (e.g. when the DRMAA plugin needs to be loaded with different library paths) - Not defined in `job_conf.xml` when using *job handler mules* - Defines how jobs are assigned to individual processes (use `db-skip-locked` !) ??? - Handlers are the Galaxy processes which interact with the cluster. - You can define dedicated handlers for different types of jobs, or to interact with different clusters. - Additionally, handlers definition in the job configuration controls how jobs are assigned to individual processes. - There are many options for the assignment process, all are discussed in the advanced sample job configuration. - db-skip-locked is the best choice for most cases, it enables handlers to grab multiple jobs to work on at once. --- # Destinations Define *how* jobs should be run - Which plugin? (Slurm, Condor, Pulsar, etc?) - In a Docker container? Which one? - **DRM params** (queue, cores, memory, walltime)? - Environment (variables e.g. `$PATH`, source an env file, run a command)? ??? - The destination section of the job configuration file is a map that defines which jobs go where. - Jobs from any destination, can be processed by any plugin. - Every job will find a path through this configuration and eventually get dispatched to the matching runner. - These destinations can specify things like environment variables or resource requirements. --- # The default job configuration .left[`config/job_conf.xml.sample_basic`:] ```xml <?xml version="1.0"?> <job_conf> <plugins> <plugin id="local" type="runner" load="galaxy.jobs.runners.local:LocalJobRunner" workers="4"/> </plugins> <destinations> <destination id="local" runner="local"/> </destinations> </job_conf> ``` ??? - This is the default job configuration. - It uses a local runner with 4 workers, or processes to process jobs. - As a result if you restart Galaxy, jobs will be lost. --- # Job Config - Tags Both destinations and handlers can be grouped by **tags** - Allows random selection from multiple resources - Allows concurrency limits at the destination group level ??? - Tags can be applied to both destinations and handlers. - This permits selecting randomly amongst the handlers or destinations. - Tags can help the load distribution. --- # Job Environment `<env>` tag in destinations: configure the job exec environment | tag syntax | function | | ---- | ---- | | `<env id="NAME">VALUE</env>` | Set `$NAME` to `VALUE` | | `<env file="/path/to/file" />` | Source shell file at `/path/to/file` | | `<env exec="CMD" />` | Execute `CMD` | Source and command execution will be handled on the remote destination, don't need to work on the Galaxy server ??? - You can specify environment variables on the destination. - Galaxy will ensure these are executed in the same environment and ahead of the job. --- # Limits Available limits - Walltime (if not available with your DRM) - Output size (if *any* tool output grows larger than this limit) - Concurrency: Number of "active" (queued or running) jobs ??? - Configuration of job limits is best acommplished using both the DRM provided limits and the ones from Galaxy. - Walltime is best set in your DRM, while output size is only possible through Galaxy. - We recommend you set these at the DRM level which is better equipped to terminate misbehaving jobs. - The most important limit however is usually concurrency. --- # Concurrency Limits Available limits - Number of active jobs per registered user - Number of active jobs per unregistered user - Number of active jobs per registered user in a specified destination or destination tag - Number of total active jobs in a specified destination or destination tag ??? - Using concurrency limits lets you ensure quality of service for everyone. - By limiting jobs per user, you can prevent a single user from overwhelming the server, and ensure everyone can run jobs. - Additionally with concurrency limits you can balance your instance between internal and external users. --- # Shared Filesystem Most job plugins require a **shared filesystem** between the Galaxy server and compute. The exception is **Pulsar**. More on this in *Using heterogeneous compute resources* ??? - Most DRMs require a shared filesystem to ensure datasets are available to the jobs. - Galaxy's Pulsar does not, and can be used in situations where no shared filesystem is available. --- # Shared Filesystem Our simple example works because of two important principles: 1. Some things are located *at the same path* on Galaxy server and node(s) - Galaxy application (`/srv/galaxy/server`) - Tool dependencies 2. Some things *are the same* on Galaxy server and node(s) - Job working directory - Input and output datasets The first can be worked around with symlinks or Pulsar embedded (later) The second can be worked around with Pulsar REST/MQ (with a performance/throughput penalty) ??? - For the DRMs which require a shared filesystem there are additional requirements. - First, Galaxy and the tool dependencies are at the same location on the head and compute nodes. - Job directories must be in a shared location on both head and compute nodes. - This is mentioned in more detail in the tutorial. --- # Multiprocessing Some tools can greatly improve performance by using multiple cores Galaxy automatically sets `$GALAXY_SLOTS` to the CPU/core count you specify when submitting, for example, 4: - Slurm: `sbatch --ntasks=4` - SGE: `qsub -pe threads 4` - Torque/PBS Pro: `qsub -l nodes=1:ppn=4` - Condor: `request_cpus: 4` Tool configs: Consume `\${GALAXY_SLOTS:-4}` ??? - For multiprocessing to be available both the tool and the Galaxy tool wrapper need to support it. - You need to understand what tools are being run and set destinations for them with the appropriate specification. - You'll need to check for presence of GALAXY_SLOTS in the tool wrappers and tool macros to see if the tool supports multiple threads. --- # Memory requirements For **Slurm only**, Galaxy will set `$GALAXY_MEMORY_MB` and `$GALAXY_MEMORY_MB_PER_SLOT` as integers. **Other DRMs:** Please PR the [appropriate code](https://github.com/galaxyproject/galaxy/blob/dev/lib/galaxy/jobs/runners/util/job_script/MEMORY_STATEMENT.sh). For Java tools, be sure to set `-Xmx`, e.g.: ```xml <destination id="foo" ...> <env id="_JAVA_OPTIONS">-Xmx4096m</env> </destination> ``` ??? - Memory requirements can be set as well. - For some tools, you'll need to additionally provide environment variables to specify memory limits. - This is different per DRM. --- # Run jobs as the "real" user If your Galaxy users == System users: - Submit jobs to cluster as the actual user - Configurable callout scripts before/after job to change ownership - Probably requires limited sudo for Galaxy user See: [Cluster documentation](https://wiki.galaxyproject.org/Admin/Config/Performance/Cluster) ??? - If you galaxy users map to the system users you can have Galaxy run the jobs with the account of those users. - This allows proper resource accounting, but comes at some additional configuration complexities. --- ## Job Config - Mapping Tools to Destinations Problem: Tool A uses single core, Tool B uses multiple - Both submit to the same cluster - Need different submit parameters (`--ntasks=1` vs. `--ntasks=4` in Slurm) ??? - Mapping tools to destinations is the heart of the job configuration. - This permits you to define which tools go to which destinations, and what resources they need. --- ## Job Config - Mapping Tools to Destinations Solution: ```xml <destinations default="single"> <destination id="single" runner="slurm" /> <destination id="multi" runner="slurm"> <param id="nativeSpecification">--ntasks=4</param> </destination> </destinations> <tools> <tool id="hisat2" destination="multi"/> </tools> ``` ??? - Here is an example mapping the hisat2 tool to a definition named multi. - The multi destination specifies that 4 cores should be allocated for each job, and uses the slurm plugin. --- # The Dynamic Job Runner For when basic tool-to-destination mapping isn't enough ??? - However this static mapping sometimes isn't sufficient. - Here a dynamic mapping can be used instead. - Galaxy has several different methods for accomplishing this. --- ## The Dynamic Job Runner A special built-in job runner plugin Map jobs to destinations on more than just tool IDs .left[Two types:] - Dynamic Tool Destinations - Python function See: [Dynamic Destination Mapping](https://docs.galaxyproject.org/en/master/admin/jobs.html#dynamic-destination-mapping) ??? - There are two built in ways to do this: dynamic tool destinations, and custom Python functions. - We will cover both of these in the tutorial. --- ## Dynamic Tool Destinations .left[Configurable mappings without programming:] - YAML format config file `tool_destinations.yml` - Map based on tool ID plus: - Input dataset size(s) - Input dataset number of records - User - Maps to static destinations defined in job config ??? - The Dynamic Tool Destinations are written as a yaml file. - You can easily write rules based on file input sizes or number of inputs or user information. - This can be used to determine memory and cpu allocations. --- ## Arbitrary Python Functions .left[Programmable mappings:] - Written as Python function in `lib/galaxy/jobs/rules/` - Map based on: - Tool ID - User email or username - Inputs - Tool Parameters - Defined "helper" functions based on DB contents - Anything else discoverable - Cluster queue depth? - ...? - Can dynamically modify destinations in job config (i.e. `sbatch` params) ??? - If Dynamic Tool Destinations are insufficiently flexible, then custom Python functions can be written. - These can use any arbitrary information you want. - They have full access to submitter information, job parameters, and any other resource you might want. - They can dynamically modify destination parameters during runtime. - If you need flexibility, these are what you want. --- ### <i class="fas fa-key" aria-hidden="true"></i><span class="visually-hidden">keypoints</span> Key points - Galaxy supports a variety of different DRMs. - Dynamic Tool Destinations are a convenient way to map - Job resource parameters can allow you to give your users control over job resource requirements, if they are knowledgeable about the tools and compute resources available to them. --- ## Thank You! This material is the result of a collaborative work. Thanks to the [Galaxy Training Network](https://training.galaxyproject.org) and all the contributors!
Authors:
Nate Coraor
Björn Grüning
Nicola Soranzo
Helena Rasche
This material is licensed under the Creative Commons Attribution 4.0 International License
.