|
|
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| <!--T:7--> | | <!--T:7--> |
| [https://www.youtube.com/watch?v=RgSvGGzTeoc Niagara installation time-lag video] | | [https://www.youtube.com/watch?v=RgSvGGzTeoc Niagara installation time-lag video] |
| | |
| | [[Niagara Quickstart]] |
|
| |
|
| =Niagara hardware specifications= <!--T:3--> | | =Niagara hardware specifications= <!--T:3--> |
Line 133: |
Line 135: |
| <li><p>New, non-RAC users: we are still working out the procedure to get access. If you can't wait, for now, you can follow the old route of requesting a SciNet Consortium Account on the [https://ccsb.computecanada.ca CCDB site].</p></li></ul> | | <li><p>New, non-RAC users: we are still working out the procedure to get access. If you can't wait, for now, you can follow the old route of requesting a SciNet Consortium Account on the [https://ccsb.computecanada.ca CCDB site].</p></li></ul> |
|
| |
|
| =Using Niagara (Quickstart)= | | == Getting started == |
| | |
| == Logging in == | |
| | |
| As with all SciNet and CC (Compute Canada) compute systems, access to Niagara is via ssh (secure shell) only.
| |
| | |
| To access SciNet systems, first open a terminal window (e.g. MobaXTerm on Windows).
| |
| | |
| Then ssh into the Niagara login nodes with your CC credentials:
| |
| | |
| <source lang="bash">
| |
| $ ssh -Y MYCCUSERNAME@niagara.scinet.utoronto.ca</source>
| |
| | |
| or
| |
| | |
| <source lang="bash">$ ssh -Y MYCCUSERNAME@niagara.computecanada.ca</source>
| |
| | |
| * The Niagara login nodes are where you develop, edit, compile, prepare and submit jobs.
| |
| * These login nodes are not part of the Niagara compute cluster, but have the same architecture, operating system, and software stack.
| |
| * The optional <code>-Y</code> is needed to open windows from the Niagara command-line onto your local X server.
| |
| * To run on Niagara's compute nodes, you must submit a batch job.
| |
| | |
| == Storage Systems and Locations ==
| |
| | |
| === Home and scratch ===
| |
| | |
| You have a home and scratch directory on the system, whose locations will be given by
| |
| | |
| <code>$HOME=/home/g/groupname/myccusername</code>
| |
| | |
| <code>$SCRATCH=/scratch/g/groupname/myccusername</code>
| |
| | |
| <source lang="bash">nia-login07:~$ pwd
| |
| /home/s/scinet/rzon
| |
| | |
| nia-login07:~$ cd $SCRATCH
| |
| | |
| nia-login07:rzon$ pwd
| |
| /scratch/s/scinet/rzon</source>
| |
| | |
| === Project location ===
| |
| | |
| Users from groups with a RAC allocation will also have a project directory.
| |
| | |
| <code>$PROJECT=/project/g/groupname/myccusername</code>
| |
| | |
| '''''IMPORTANT: Future-proof your scripts'''''
| |
| | |
| Use the environment variables (HOME, SCRATCH, PROJECT) instead of the actual paths! The paths may change in the future.
| |
| | |
| === Storage Limits on Niagara ===
| |
| | |
| {| class="wikitable"
| |
| ! location
| |
| ! quota
| |
| !align="right"| block size
| |
| ! expiration time
| |
| ! backed up
| |
| ! on login
| |
| ! on compute
| |
| |-
| |
| | $HOME
| |
| | 100 GB
| |
| |align="right"| 1 MB
| |
| |
| |
| | yes
| |
| | yes
| |
| | read-only
| |
| |-
| |
| | $SCRATCH
| |
| | 25 TB
| |
| |align="right"| 16 MB
| |
| | 2 months
| |
| | no
| |
| | yes
| |
| | yes
| |
| |-
| |
| | $PROJECT
| |
| | by group allocation
| |
| |align="right"| 16 MB
| |
| |
| |
| | yes
| |
| | yes
| |
| | yes
| |
| |-
| |
| | $ARCHIVE
| |
| | by group allocation
| |
| |align="right"|
| |
| |
| |
| | dual-copy
| |
| | no
| |
| | no
| |
| |-
| |
| | $BBUFFER
| |
| | ?
| |
| |align="right"| 1 MB
| |
| | very short
| |
| | no
| |
| | ?
| |
| | ?
| |
| |}
| |
| | |
| <ul>
| |
| <li>Compute nodes do not have local storage.</li>
| |
| <li>Archive space is on [https://wiki.scinet.utoronto.ca/wiki/index.php/HPSS HPSS].</li>
| |
| <li>Backup means a recent snapshot, not an achive of all data that ever was.</li>
| |
| <li><p><code>$BBUFFER</code> stands for the Burst Buffer, a functionality that is still being set up. This will be a faster parallel storage tier for temporary data.</p></li></ul>
| |
| | |
| === Moving data ===
| |
| | |
| '''''Move amounts less than 10GB through the login nodes.'''''
| |
| | |
| * Only Niagara login nodes visible from outside SciNet.
| |
| * Use scp or rsync to niagara.scinet.utoronto.ca or niagara.computecanada.ca (no difference).
| |
| * This will time out for amounts larger than about 10GB.
| |
| | |
| '''''Move amounts larger than 10GB through the datamover node.'''''
| |
| | |
| * From a Niagara login node, ssh to <code>nia-datamover1</code>.
| |
| * Transfers must originate from this datamover.
| |
| * The other side (e.g. your machine) must be reachable from the outside.
| |
| * If you do this often, consider using Globus, a web-based tool for data transfer.
| |
| | |
| '''''Moving data to HPSS/Archive/Nearline using the scheduler.'''''
| |
| | |
| * [https://wiki.scinet.utoronto.ca/wiki/index.php/HPSS HPSS] is a tape-based storage solution, and is SciNet's nearline a.k.a. archive facility.
| |
| * Storage space on HPSS is allocated through the annual [https://www.computecanada.ca/research-portal/accessing-resources/resource-allocation-competitions Compute Canada RAC allocation].
| |
| | |
| == Software and Libraries ==
| |
| | |
| === Modules ===
| |
| | |
| Once you are on one of the login nodes, what software is already installed?
| |
| | |
| * Other than essentials, all installed software is made available using module commands.
| |
| * These set environment variables (<code>PATH</code>, etc.)
| |
| * Allows multiple, conflicting versions of a given package to be available.
| |
| * module spider shows the available software.
| |
| | |
| <source lang="bash">nia-login07:~$ module spider
| |
| ---------------------------------------------------
| |
| The following is a list of the modules currently av
| |
| ---------------------------------------------------
| |
| CCEnv: CCEnv
| |
| | |
| NiaEnv: NiaEnv/2018a
| |
| | |
| anaconda2: anaconda2/5.1.0
| |
| | |
| anaconda3: anaconda3/5.1.0
| |
| | |
| autotools: autotools/2017
| |
| autoconf, automake, and libtool
| |
| | |
| boost: boost/1.66.0
| |
| | |
| cfitsio: cfitsio/3.430
| |
| | |
| cmake: cmake/3.10.2 cmake/3.10.3
| |
| | |
| ...</source>
| |
| | |
| <ul>
| |
| <li><p><code>module load <module-name></code></p>
| |
| <p>use particular software</p></li>
| |
| <li><p><code>module purge</code></p>
| |
| <p>remove currently loaded modules</p></li>
| |
| <li><p><code>module spider</code></p>
| |
| <p>(or <code>module spider <module-name></code>)</p>
| |
| <p>list available software packages</p></li>
| |
| <li><p><code>module avail</code></p>
| |
| <p>list loadable software packages</p></li>
| |
| <li><p><code>module list</code></p>
| |
| <p>list loaded modules</p></li></ul>
| |
| | |
| On Niagara, there are really two software stacks:
| |
| | |
| <ol style="list-style-type: decimal;">
| |
| <li><p>A Niagara software stack tuned and compiled for this machine. This stack is available by default, but if not, can be reloaded with</p>
| |
| <source lang="bash">module load NiaEnv</source></li>
| |
| <li><p>The same software stack available on Compute Canada's General Purpose clusters [https://docs.computecanada.ca/wiki/Graham Graham] and [https://docs.computecanada.ca/wiki/Cedar Cedar], compiled (for now) for a previous generation of CPUs:</p>
| |
| <source lang="bash">module load CCEnv</source>
| |
| <p>If you want the same default modules loaded as on Cedar and Graham, then afterwards also <code>module load StdEnv</code>.</p></li></ol>
| |
| | |
| Note: the <code>*Env</code> modules are '''''sticky'''''; remove them by <code>--force</code>.
| |
| | |
| === Tips for loading software ===
| |
| | |
| <ul>
| |
| <li><p>We advise '''''against''''' loading modules in your .bashrc.</p>
| |
| <p>This could lead to very confusing behaviour under certain circumstances.</p></li>
| |
| <li><p>Instead, load modules by hand when needed, or by sourcing a separate script.</p></li>
| |
| <li><p>Load run-specific modules inside your job submission script.</p></li>
| |
| <li><p>Short names give default versions; e.g. <code>intel</code> → <code>intel/2018.2</code>.</p>
| |
| <p>It is usually better to be explicit about the versions, for future reproducibility.</p></li>
| |
| <li><p>Handy abbreviations:</p></li></ul>
| |
| | |
| <pre class="sh"> ml → module list
| |
| ml NAME → module load NAME # if NAME is an existing module
| |
| ml X → module X</pre>
| |
| | |
| * Modules sometimes require other modules to be loaded first.<br />
| |
| Solve these dependencies by using <code>module spider</code>.
| |
| | |
| === Module spider ===
| |
| | |
| Oddly named, the module subcommand spider is the search-and-advice facility for modules.
| |
| | |
| <source lang="bash">nia-login07:~$ module load openmpi
| |
| Lmod has detected the error: These module(s) exist but cannot be loaded as requested: "openmpi"
| |
| Try: "module spider openmpi" to see how to load the module(s).</source>
| |
| <source lang="bash">nia-login07:~$ module spider openmpi
| |
| ------------------------------------------------------------------------------------------------------
| |
| openmpi:
| |
| ------------------------------------------------------------------------------------------------------
| |
| Versions:
| |
| openmpi/2.1.3
| |
| openmpi/3.0.1
| |
| openmpi/3.1.0rc3
| |
| | |
| ------------------------------------------------------------------------------------------------------
| |
| For detailed information about a specific "openmpi" module (including how to load the modules) use
| |
| the module s full name.
| |
| For example:
| |
| | |
| $ module spider openmpi/3.1.0rc3
| |
| ------------------------------------------------------------------------------------------------------</source>
| |
| <source lang="bash">nia-login07:~$ module spider openmpi/3.1.0rc3
| |
| ------------------------------------------------------------------------------------------------------
| |
| openmpi: openmpi/3.1.0rc3
| |
| ------------------------------------------------------------------------------------------------------
| |
| You will need to load all module(s) on any one of the lines below before the "openmpi/3.1.0rc3"
| |
| module is available to load.
| |
| | |
| NiaEnv/2018a gcc/7.3.0
| |
| NiaEnv/2018a intel/2018.2
| |
| </source>
| |
| <source lang="bash">nia-login07:~$ module load NiaEnv/2018a intel/2018.2 # note: NiaEnv is usually already loaded
| |
| nia-login07:~$ module load openmpi/3.1.0rc3</source>
| |
| <source lang="bash">nia-login07:~$ module list
| |
| Currently Loaded Modules:
| |
| 1) NiaEnv/2018a (S) 2) intel/2018.2 3) openmpi/3.1.0.rc3
| |
| | |
| Where:
| |
| S: Module is Sticky, requires --force to unload or purge</source>
| |
| | |
| == Can I Run Commercial Software? ==
| |
| | |
| * Possibly, but you have to bring your own license for it.
| |
| * SciNet and Compute Canada have an extremely large and broad user base of thousands of users, so we cannot provide licenses for everyone's favorite software.
| |
| * Thus, the only commercial software installed on Niagara is software that can benefit everyone: Compilers, math libraries and debuggers.
| |
| * That means no Matlab, Gaussian, IDL,
| |
| * Open source alternatives like Octave, Python, R are available.
| |
| * We are happy to help you to install commercial software for which you have a license.
| |
| * In some cases, if you have a license, you can use software in the Compute Canada stack.
| |
| | |
| == Compiling on Niagara: Example ==
| |
| | |
| <source lang="bash">nia-login07:~$ module list
| |
| Currently Loaded Modules:
| |
| 1) NiaEnv/2018a (S)
| |
| Where:
| |
| S: Module is Sticky, requires --force to unload or purge
| |
| | |
| nia-login07:~$ module load intel/2018.2 gsl/2.4
| |
| | |
| nia-login07:~$ ls
| |
| main.c module.c
| |
| | |
| nia-login07:~$ icc -c -O3 -xHost -o main.o main.c
| |
| nia-login07:~$ icc -c -O3 -xHost -o module.o module.c
| |
| nia-login07:~$ icc -o main module.o main.o -lgsl -mkl
| |
| | |
| nia-login07:~$ ./main</source>
| |
| == Testing ==
| |
| | |
| You really should test your code before you submit it to the cluster to know if your code is correct and what kind of resources you need.
| |
| | |
| <ul>
| |
| <li><p>Small test jobs can be run on the login nodes.</p>
| |
| <p>Rule of thumb: couple of minutes, taking at most about 1-2GB of memory, couple of cores.</p></li>
| |
| <li><p>You can run the the ddt debugger on the login nodes after <code>module load ddt</code>.</p></li>
| |
| <li><p>Short tests that do not fit on a login node, or for which you need a dedicated node, request an<br />
| |
| interactive debug job with the salloc command</p>
| |
| <source lang="bash">nia-login07:~$ salloc -pdebug --nodes N --time=1:00:00</source>
| |
| <p>where N is the number of nodes. The duration of your interactive debug session can be at most one hour, can use at most 4 nodes, and each user can only have one such session at a time.</p></li></ul>
| |
| | |
| == Submitting jobs ==
| |
| | |
| <ul>
| |
| <li><p>Niagara uses SLURM as its job scheduler.</p></li>
| |
| <li><p>You submit jobs from a login node by passing a script to the sbatch command:</p>
| |
| <source lang="bash">nia-login07:~$ sbatch jobscript.sh</source></li>
| |
| <li><p>This puts the job in the queue. It will run on the compute nodes in due course.</p></li>
| |
| <li><p>Jobs will run under their group's RRG allocation, or, if the group has none, under a RAS allocation (previously called `default' allocation).</p></li></ul>
| |
| | |
| Keep in mind:
| |
| | |
| <ul>
| |
| <li><p>Scheduling is by node, so in multiples of 40-cores.</p></li>
| |
| <li><p>Maximum walltime is 24 hours.</p></li>
| |
| <li><p>Jobs must write to your scratch or project directory (home is read-only on compute nodes).</p></li>
| |
| <li><p>Compute nodes have no internet access.</p>
| |
| <p>Download data you need beforehand on a login node.</p></li></ul>
| |
| | |
| === Example submission script (OpenMP) ===
| |
| | |
| <source lang="bash">#!/bin/bash
| |
| #SBATCH --nodes=1
| |
| #SBATCH --cpus-per-task=40
| |
| #SBATCH --time=1:00:00
| |
| #SBATCH --job-name openmp_job
| |
| #SBATCH --output=openmp_output_%j.txt
| |
| | |
| cd $SLURM_SUBMIT_DIR
| |
| | |
| module load intel/2018.2
| |
| | |
| export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
| |
| | |
| ./openmp_example
| |
| # or "srun ./openmp_example".
| |
| </source>
| |
| <source lang="bash">nia-login07:~$ sbatch openmp_job.sh</source>
| |
| * First line indicates that this is a bash script.
| |
| * Lines starting with <code>#SBATCH</code> go to SLURM.
| |
| * sbatch reads these lines as a job request (which it gives the name <code>openmp_job</code>) .
| |
| * In this case, SLURM looks for one node with 40 cores to be run inside one task, for 1 hour.
| |
| * Once it found such a node, it runs the script:
| |
| ** Change to the submission directory;
| |
| ** Loads modules;
| |
| ** Sets an environment variable;
| |
| ** Runs the <code>openmp_example</code> application.
| |
| | |
| === Example submission script (MPI) ===
| |
| | |
| <source lang="bash">#!/bin/bash
| |
| #SBATCH --nodes=8
| |
| #SBATCH --ntasks=320
| |
| #SBATCH --time=1:00:00
| |
| #SBATCH --job-name mpi_job
| |
| #SBATCH --output=mpi_output_%j.txt
| |
| | |
| cd $SLURM_SUBMIT_DIR
| |
| | |
| module load intel/2018.2
| |
| module load openmpi/3.1.0rc3
| |
| | |
| mpirun ./mpi_example
| |
| # or "srun ./mpi_example"
| |
| </source>
| |
| <source lang="bash">nia-login07:~$ sbatch mpi_job.sh</source>
| |
| <ul>
| |
| <li><p>First line indicates that this is a bash script.</p></li>
| |
| <li><p>Lines starting with <code>#SBATCH</code> go to SLURM.</p></li>
| |
| <li><p>sbatch reads these lines as a job request (which it gives the name <code>mpi_job</code>)</p></li>
| |
| <li><p>In this case, SLURM looks for 8 nodes with 40 cores on which to run 320 tasks, for 1 hour.</p></li>
| |
| <li><p>Once it found such a node, it runs the script:</p>
| |
| <ul>
| |
| <li>Change to the submission directory;</li>
| |
| <li>Loads modules;</li>
| |
| <li>Runs the <code>mpi_example</code> application.</li></ul>
| |
| | |
| <p></p></li></ul>
| |
| | |
| == Monitoring queued jobs ==
| |
| | |
| Once the job is incorporated into the queue, there are some command you can use to monitor its progress.
| |
| | |
| <ul>
| |
| <li><p><code>squeue</code> to show the job queue (<code>squeue -u $USER</code> for just your jobs);</p></li>
| |
| <li><p><code>squeue -j JOBID</code> to get information on a specific job</p>
| |
| <p>(alternatively, <code>scontrol show job JOBID</code>, which is more verbose).</p></li>
| |
| <li><p><code>squeue -j JOBID -o "%.9i %.9P %.8j %.8u %.2t %.10M %.6D %S"</code> to get an estimate for when a job will run.</p></li>
| |
| <li><p><code>scancel -i JOBID</code> to cancel the job.</p></li>
| |
| <li><p><code>sinfo -pcompute</code> to look at available nodes.</p></li>
| |
| <li><p>More utilities like those that were available on the GPC are under development.</p></li></ul>
| |
| | |
| == Data Management and I/O Tips ==
| |
| | |
| * $HOME, $SCRATCH, and $PROJECT all use the parallel file system called GPFS.
| |
| * Your files can be seen on all Niagara login and compute nodes.
| |
| * GPFS is a high-performance file system which provides rapid reads and writes to large data sets in parallel from many nodes.
| |
| * But accessing data sets which consist of many, small files leads to poor performance.
| |
| * Avoid reading and writing lots of small amounts of data to disk.<br />
| |
| | |
| * Many small files on the system would waste space and would be slower to access, read and write.
| |
| * Write data out in binary. Faster and takes less space.
| |
| * Burst buffer (to come) is better for i/o heavy jobs and to speed up checkpoints.
| |
|
| |
|
| | See [[Niagara Quickstart]]. |
|
| |
|
| </translate> | | </translate> |