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_includes/snippets_library/SRCC_FarmShare_slurm/_config_options.yml
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# --------------------------------------------------------------- | ||
# HPC Carpentries in the Cloud: Slurm + Software Stack from EESSI | ||
# --------------------------------------------------------------- | ||
# | ||
# The HPC Carpentry Cluster in the Cloud is provided as a public | ||
# service by volunteers. It is provisioned with Magic Castle | ||
# <https://github.com/ComputeCanada/magic_castle> using the EESSI | ||
# <https://eessi.github.io/docs/> software stack. If you need an | ||
# account, please visit <cluster.hpc-carpentry.org>. | ||
# | ||
# Compute responsibly. | ||
--- | ||
|
||
snippets: "/snippets_library/HPCC_MagicCastle_slurm" | ||
|
||
local: | ||
prompt: "[you@laptop:~]$" | ||
bash_shebang: "#!/usr/bin/env bash" | ||
|
||
remote: | ||
name: "HPC Carpentry's Cloud Cluster" | ||
login: "cluster.hpc-carpentry.org" | ||
portal: "https://mokey.cluster.hpc-carpentry.org" | ||
host: "login1" | ||
node: "smnode1" | ||
location: "cluster.hpc-carpentry.org" | ||
homedir: "/home" | ||
user: "yourUsername" | ||
module_python3: "Python" | ||
prompt: "[yourUsername@login1 ~]$" | ||
bash_shebang: "#!/bin/bash" | ||
|
||
sched: | ||
name: "Slurm" | ||
submit: | ||
name: "sbatch" | ||
options: "" | ||
queue: | ||
debug: "smnode" | ||
testing: "cpubase_bycore_b1" | ||
status: "squeue" | ||
flag: | ||
user: "-u yourUsername" | ||
interactive: "" | ||
histdetail: "-l -j" | ||
name: "-J" | ||
time: "-t" | ||
queue: "-p" | ||
del: "scancel" | ||
interactive: "srun" | ||
info: "sinfo" | ||
comment: "#SBATCH" | ||
hist: "sacct -u yourUsername" | ||
hist_filter: "" | ||
|
||
episode_order: | ||
- 10-hpc-intro | ||
- 11-connecting | ||
- 12-cluster | ||
- 13-scheduler | ||
- 14-environment-variables | ||
- 15-modules | ||
- 16-transferring-files | ||
- 17-parallel | ||
- 18-resources | ||
- 19-responsibility |
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_includes/snippets_library/SRCC_FarmShare_slurm/cluster/queue-info.snip
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``` | ||
PARTITION AVAIL TIMELIMIT NODES STATE NODELIST | ||
cpubase_bycore_b1* up infinite 4 idle node[1-2],smnode[1-2] | ||
node up infinite 2 idle node[1-2] | ||
smnode up infinite 2 idle smnode[1-2] | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/cluster/specific-node-info.snip
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> ## Explore a Worker Node | ||
> | ||
> Finally, let's look at the resources available on the worker nodes where your | ||
> jobs will actually run. Try running this command to see the name, CPUs and | ||
> memory available on the worker nodes: | ||
> | ||
> ``` | ||
> {{ site.remote.prompt }} sinfo -o "%n %c %m" | column -t | ||
> ``` | ||
> {: .language-bash} | ||
{: .challenge} |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/available-modules.snip
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``` | ||
~~~ /cvmfs/pilot.eessi-hpc.org/2020.12/software/x86_64/amd/zen2/modules/all ~~~ | ||
Bazel/3.6.0-GCCcore-x.y.z NSS/3.51-GCCcore-x.y.z | ||
Bison/3.5.3-GCCcore-x.y.z Ninja/1.10.0-GCCcore-x.y.z | ||
Boost/1.72.0-gompi-2020a OSU-Micro-Benchmarks/5.6.3-gompi-2020a | ||
CGAL/4.14.3-gompi-2020a-Python-3.x.y OpenBLAS/0.3.9-GCC-x.y.z | ||
CMake/3.16.4-GCCcore-x.y.z OpenFOAM/v2006-foss-2020a | ||
[removed most of the output here for clarity] | ||
Where: | ||
L: Module is loaded | ||
Aliases: Aliases exist: foo/1.2.3 (1.2) means that "module load foo/1.2" | ||
will load foo/1.2.3 | ||
D: Default Module | ||
Use "module spider" to find all possible modules and extensions. | ||
Use "module keyword key1 key2 ..." to search for all possible modules matching | ||
any of the "keys". | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/default-modules.snip
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``` | ||
No Modulefiles Currently Loaded. | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/missing-python.snip
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If the `python3` command was unavailable, we would see output like | ||
|
||
``` | ||
/usr/bin/which: no python3 in (/cvmfs/pilot.eessi-hpc.org/2020.12/compat/linux/x86_64/usr/bin:/opt/software/slurm/bin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/opt/puppetlabs/bin:/home/{{site.remote.user}}/.local/bin:/home/{{site.remote.user}}/bin) | ||
``` | ||
{: .output} | ||
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||
Note that this wall of text is really a list, with values separated | ||
by the `:` character. The output is telling us that the `which` command | ||
searched the following directories for `python3`, without success: | ||
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||
``` | ||
/cvmfs/pilot.eessi-hpc.org/2020.12/compat/linux/x86_64/usr/bin | ||
/opt/software/slurm/bin | ||
/usr/local/bin | ||
/usr/bin | ||
/usr/local/sbin | ||
/usr/sbin | ||
/opt/puppetlabs/bin | ||
/home/{{site.remote.user}}/.local/bin | ||
/home/{{site.remote.user}}/bin | ||
``` | ||
{: .output} | ||
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||
However, in our case we do have an existing `python3` available so we see | ||
|
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``` | ||
/cvmfs/pilot.eessi-hpc.org/2020.12/compat/linux/x86_64/usr/bin/python3 | ||
``` | ||
{: .output} | ||
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We need a different Python than the system provided one though, so let us load | ||
a module to access it. |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/module-load-python.snip
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``` | ||
{{ site.remote.prompt }} module load {{ site.remote.module_python3 }} | ||
{{ site.remote.prompt }} which python3 | ||
``` | ||
{: .language-bash} |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/python-executable-dir.snip
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``` | ||
/cvmfs/pilot.eessi-hpc.org/2020.12/software/x86_64/amd/zen2/software/Python/3.x.y-GCCcore-x.y.z/bin/python3 | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/python-ls-dir-command.snip
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``` | ||
{{ site.remote.prompt }} ls /cvmfs/pilot.eessi-hpc.org/2020.12/software/x86_64/amd/zen2/software/Python/3.x.y-GCCcore-x.y.z/bin | ||
``` | ||
{: .language-bash} |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/python-ls-dir-output.snip
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``` | ||
2to3 nosetests-3.8 python rst2s5.py | ||
2to3-3.8 pasteurize python3 rst2xetex.py | ||
chardetect pbr python3.8 rst2xml.py | ||
cygdb pip python3.8-config rstpep2html.py | ||
cython pip3 python3-config runxlrd.py | ||
cythonize pip3.8 rst2html4.py sphinx-apidoc | ||
easy_install pybabel rst2html5.py sphinx-autogen | ||
easy_install-3.8 __pycache__ rst2html.py sphinx-build | ||
futurize pydoc3 rst2latex.py sphinx-quickstart | ||
idle3 pydoc3.8 rst2man.py tabulate | ||
idle3.8 pygmentize rst2odt_prepstyles.py virtualenv | ||
netaddr pytest rst2odt.py wheel | ||
nosetests py.test rst2pseudoxml.py | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/python-module-path.snip
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``` | ||
/cvmfs/pilot.eessi-hpc.org/2020.12/software/x86_64/amd/zen2/software/Python/3.x.y-GCCcore-x.y.z/bin:/cvmfs/pilot.eessi-hpc.org/2020.12/software/x86_64/amd/zen2/software/SQLite/3.31.1-GCCcore-x.y.z/bin:/cvmfs/pilot.eessi-hpc.org/2020.12/software/x86_64/amd/zen2/software/Tcl/8.6.10-GCCcore-x.y.z/bin:/cvmfs/pilot.eessi-hpc.org/2020.12/software/x86_64/amd/zen2/software/GCCcore/x.y.z/bin:/cvmfs/pilot.eessi-hpc.org/2020.12/compat/linux/x86_64/usr/bin:/opt/software/slurm/bin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/opt/puppetlabs/bin:/home/user01/.local/bin:/home/user01/bin | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/software-dependencies.snip
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To demonstrate, let's use `module list`. `module list` shows all loaded | ||
software modules. | ||
|
||
``` | ||
{{ site.remote.prompt }} module list | ||
``` | ||
{: .language-bash} | ||
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``` | ||
Currently Loaded Modules: | ||
1) GCCcore/x.y.z 4) GMP/6.2.0-GCCcore-x.y.z | ||
2) Tcl/8.6.10-GCCcore-x.y.z 5) libffi/3.3-GCCcore-x.y.z | ||
3) SQLite/3.31.1-GCCcore-x.y.z 6) Python/3.x.y-GCCcore-x.y.z | ||
``` | ||
{: .output} | ||
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``` | ||
{{ site.remote.prompt }} module load GROMACS | ||
{{ site.remote.prompt }} module list | ||
``` | ||
{: .language-bash} | ||
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||
``` | ||
Currently Loaded Modules: | ||
1) GCCcore/x.y.z 14) libfabric/1.11.0-GCCcore-x.y.z | ||
2) Tcl/8.6.10-GCCcore-x.y.z 15) PMIx/3.1.5-GCCcore-x.y.z | ||
3) SQLite/3.31.1-GCCcore-x.y.z 16) OpenMPI/4.0.3-GCC-x.y.z | ||
4) GMP/6.2.0-GCCcore-x.y.z 17) OpenBLAS/0.3.9-GCC-x.y.z | ||
5) libffi/3.3-GCCcore-x.y.z 18) gompi/2020a | ||
6) Python/3.x.y-GCCcore-x.y.z 19) FFTW/3.3.8-gompi-2020a | ||
7) GCC/x.y.z 20) ScaLAPACK/2.1.0-gompi-2020a | ||
8) numactl/2.0.13-GCCcore-x.y.z 21) foss/2020a | ||
9) libxml2/2.9.10-GCCcore-x.y.z 22) pybind11/2.4.3-GCCcore-x.y.z-Pytho... | ||
10) libpciaccess/0.16-GCCcore-x.y.z 23) SciPy-bundle/2020.03-foss-2020a-Py... | ||
11) hwloc/2.2.0-GCCcore-x.y.z 24) networkx/2.4-foss-2020a-Python-3.8... | ||
12) libevent/2.1.11-GCCcore-x.y.z 25) GROMACS/2020.1-foss-2020a-Python-3... | ||
13) UCX/1.8.0-GCCcore-x.y.z | ||
``` | ||
{: .output} | ||
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So in this case, loading the `GROMACS` module (a bioinformatics software | ||
package), also loaded `GMP/6.2.0-GCCcore-x.y.z` and | ||
`SciPy-bundle/2020.03-foss-2020a-Python-3.x.y` as well. Let's try unloading the | ||
`GROMACS` package. | ||
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||
``` | ||
{{ site.remote.prompt }} module unload GROMACS | ||
{{ site.remote.prompt }} module list | ||
``` | ||
{: .language-bash} | ||
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||
``` | ||
Currently Loaded Modules: | ||
1) GCCcore/x.y.z 13) UCX/1.8.0-GCCcore-x.y.z | ||
2) Tcl/8.6.10-GCCcore-x.y.z 14) libfabric/1.11.0-GCCcore-x.y.z | ||
3) SQLite/3.31.1-GCCcore-x.y.z 15) PMIx/3.1.5-GCCcore-x.y.z | ||
4) GMP/6.2.0-GCCcore-x.y.z 16) OpenMPI/4.0.3-GCC-x.y.z | ||
5) libffi/3.3-GCCcore-x.y.z 17) OpenBLAS/0.3.9-GCC-x.y.z | ||
6) Python/3.x.y-GCCcore-x.y.z 18) gompi/2020a | ||
7) GCC/x.y.z 19) FFTW/3.3.8-gompi-2020a | ||
8) numactl/2.0.13-GCCcore-x.y.z 20) ScaLAPACK/2.1.0-gompi-2020a | ||
9) libxml2/2.9.10-GCCcore-x.y.z 21) foss/2020a | ||
10) libpciaccess/0.16-GCCcore-x.y.z 22) pybind11/2.4.3-GCCcore-x.y.z-Pytho... | ||
11) hwloc/2.2.0-GCCcore-x.y.z 23) SciPy-bundle/2020.03-foss-2020a-Py... | ||
12) libevent/2.1.11-GCCcore-x.y.z 24) networkx/2.4-foss-2020a-Python-3.x.y | ||
``` | ||
{: .output} | ||
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So using `module unload` "un-loads" a module, and depending on how a site is | ||
configured it may also unload all of the dependencies (in our case it does | ||
not). If we wanted to unload everything at once, we could run `module purge` | ||
(unloads everything). | ||
|
||
``` | ||
{{ site.remote.prompt }} module purge | ||
{{ site.remote.prompt }} module list | ||
``` | ||
{: .language-bash} | ||
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``` | ||
No modules loaded | ||
``` | ||
{: .output} | ||
|
||
Note that `module purge` is informative. It will also let us know if a default | ||
set of "sticky" packages cannot be unloaded (and how to actually unload these | ||
if we truly so desired). |
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_includes/snippets_library/SRCC_FarmShare_slurm/modules/wrong-gcc-version.snip
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<!--- There is a long additional section on some specific features of Lmod in | ||
snippets_library/ComputeCanada_Graham_slurm/modules/wrong-gcc-version.snip, | ||
particular covering the concept of a module hierarchy. While this is not | ||
relevant to the EESSI configuration right now, it may become so in the future | ||
if we change the default module naming scheme to hierarchical. --> |
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_includes/snippets_library/SRCC_FarmShare_slurm/parallel/eight-tasks-jobscript.snip
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``` | ||
{{ site.remote.bash_shebang }} | ||
{{ site.sched.comment }} {{ site.sched.flag.name }} parallel-job | ||
{{ site.sched.comment }} {{ site.sched.flag.queue }} {{ site.sched.queue.testing }} | ||
{{ site.sched.comment }} -N 1 | ||
{{ site.sched.comment }} -n 8 | ||
# Load the computing environment we need | ||
# (mpi4py and numpy are in SciPy-bundle) | ||
module load {{ site.remote.module_python3 }} | ||
module load SciPy-bundle | ||
# Execute the task | ||
mpiexec amdahl | ||
``` | ||
{: .language-bash} |
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_includes/snippets_library/SRCC_FarmShare_slurm/parallel/four-tasks-jobscript.snip
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``` | ||
{{ site.remote.bash_shebang }} | ||
{{ site.sched.comment }} {{ site.sched.flag.name }} parallel-job | ||
{{ site.sched.comment }} {{ site.sched.flag.queue }} {{ site.sched.queue.testing }} | ||
{{ site.sched.comment }} -N 1 | ||
{{ site.sched.comment }} -n 4 | ||
# Load the computing environment we need | ||
# (mpi4py and numpy are in SciPy-bundle) | ||
module load {{ site.remote.module_python3 }} | ||
module load SciPy-bundle | ||
# Execute the task | ||
mpiexec amdahl | ||
``` | ||
{: .language-bash} |
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_includes/snippets_library/SRCC_FarmShare_slurm/parallel/one-task-jobscript.snip
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``` | ||
{{ site.remote.bash_shebang }} | ||
{{ site.sched.comment }} {{ site.sched.flag.name }} solo-job | ||
{{ site.sched.comment }} {{ site.sched.flag.queue }} {{ site.sched.queue.testing }} | ||
{{ site.sched.comment }} -N 1 | ||
{{ site.sched.comment }} -n 1 | ||
# Load the computing environment we need | ||
module load {{ site.remote.module_python3 }} | ||
# Execute the task | ||
amdahl | ||
``` | ||
{: .language-bash} |
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_includes/snippets_library/SRCC_FarmShare_slurm/resources/account-history.snip
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``` | ||
JobID JobName Partition Account AllocCPUS State ExitCode | ||
------------ ---------- ---------- ---------- ---------- ---------- -------- | ||
7 file.sh cpubase_b+ def-spons+ 1 COMPLETED 0:0 | ||
7.batch batch def-spons+ 1 COMPLETED 0:0 | ||
7.extern extern def-spons+ 1 COMPLETED 0:0 | ||
8 file.sh cpubase_b+ def-spons+ 1 COMPLETED 0:0 | ||
8.batch batch def-spons+ 1 COMPLETED 0:0 | ||
8.extern extern def-spons+ 1 COMPLETED 0:0 | ||
9 example-j+ cpubase_b+ def-spons+ 1 COMPLETED 0:0 | ||
9.batch batch def-spons+ 1 COMPLETED 0:0 | ||
9.extern extern def-spons+ 1 COMPLETED 0:0 | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/resources/monitor-processes-top.snip
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``` | ||
top - 21:00:19 up 3:07, 1 user, load average: 1.06, 1.05, 0.96 | ||
Tasks: 311 total, 1 running, 222 sleeping, 0 stopped, 0 zombie | ||
%Cpu(s): 7.2 us, 3.2 sy, 0.0 ni, 89.0 id, 0.0 wa, 0.2 hi, 0.2 si, 0.0 st | ||
KiB Mem : 16303428 total, 8454704 free, 3194668 used, 4654056 buff/cache | ||
KiB Swap: 8220668 total, 8220668 free, 0 used. 11628168 avail Mem | ||
PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND | ||
1693 jeff 20 0 4270580 346944 171372 S 29.8 2.1 9:31.89 gnome-shell | ||
3140 jeff 20 0 3142044 928972 389716 S 27.5 5.7 13:30.29 Web Content | ||
3057 jeff 20 0 3115900 521368 231288 S 18.9 3.2 10:27.71 firefox | ||
6007 jeff 20 0 813992 112336 75592 S 4.3 0.7 0:28.25 tilix | ||
1742 jeff 20 0 975080 164508 130624 S 2.0 1.0 3:29.83 Xwayland | ||
1 root 20 0 230484 11924 7544 S 0.3 0.1 0:06.08 systemd | ||
68 root 20 0 0 0 0 I 0.3 0.0 0:01.25 kworker/4:1 | ||
2913 jeff 20 0 965620 47892 37432 S 0.3 0.3 0:11.76 code | ||
2 root 20 0 0 0 0 S 0.0 0.0 0:00.02 kthreadd | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/resources/system-memory-free.snip
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``` | ||
total used free shared buff/cache available | ||
Mem: 3.8G 1.5G 678M 327M 1.6G 1.6G | ||
Swap: 3.9G 170M 3.7G | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/scheduler/basic-job-script.snip
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``` | ||
Submitted batch job 7 | ||
``` | ||
{: .output} |
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_includes/snippets_library/SRCC_FarmShare_slurm/scheduler/basic-job-status.snip
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``` | ||
JOBID PARTITION NAME USER ST TIME NODES NODELIST(REASON) | ||
9 cpubase_b example- user01 R 0:05 1 node1 | ||
``` | ||
{: .output} | ||
|
||
We can see all the details of our job, most importantly that it is in the `R` | ||
or `RUNNING` state. Sometimes our jobs might need to wait in a queue | ||
(`PENDING`) or have an error (`E`). |
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_includes/snippets_library/SRCC_FarmShare_slurm/scheduler/job-with-name-status.snip
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``` | ||
JOBID PARTITION NAME USER ST TIME NODES NODELIST(REASON) | ||
10 cpubase_b hello-wo user01 R 0:02 1 node1 | ||
``` | ||
{: .output} |
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