(r21) PALMA3 < Anleitungen

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---+ PALMA-NG

%TOC{title="Content"}%
---++ Overview

palma3 is the login node to a newer part of the !PALMA system. It has various queues/partitions for different purposes:
   * u0dawin: A queue for general purpose. It is usable for everyone, even without being a member of the groups that have submittet a proposal for !PALMA. It replaces the old !ZIVHPC cluster
   * k20gpu: Four nodes equipped with 3 K20 nVidia Tesla accelerators each
   * normal: 29 nodes with 32 Broadwell CPU cores (64 threads) each and 128 GB RAM.
   * smp: An AMD Opteron machine with 64 cores and 512 GB RAM (The former !ZIVSMP)
   * phi: Two nodes with 4 Intel Xeon Phi Knights Corner accelerators each. (not available yet).
   * knl: Four nodes with a Xeon Phi Knights Landing accelerator
   * requeue: Job in this queue will run on the nodes of the above mentioned 18 nodes. If your jobs are running on one of the exclusive nodes while jobs are put in there, your job will be terminated and requeued, so use with care.

There are some special queues, which are only allowed for certain groups (these are also Broadwell nodes like in the normal queue):
   * p0fuchs: 8 nodes for exclusive usage
   * p0kulesz: 4 nodes for exclusive usage
   * p0klasen: 1 nodes for exclusive usage
   * p0kapp: 1 nodes for exclusive usage
   * hims: 4 nodes for exclusive usage

<img alt="" src="%ATTACHURL%/palma-ng_batchsystem.png" />
---+++ Software/The module concept

The software on palma-ng can be accessed via modules. These are small script that set environment variables (like PATH and LD_LIBRARY_PATH) pointing to the locations where the software is installed (this is mostly on network drives so that the software is available on every node in the cluster). The module system we use here is [[https://www.tacc.utexas.edu/research-development/tacc-projects/lmod][LMOD]] (1). In contrast to the older environment modules we used on PALMA I and NWZPHI, there is the new command "module spider". Please find more information on this below.

The most important difference between Palma I and palma-ng is the new introduced [[https://hpcugent.github.io/easybuild/files/hust14_paper.pdf][hierarchical module naming scheme]] (2)

(1) [[https://www.tacc.utexas.edu/research-development/tacc-projects/lmod]]

(2) [[https://hpcugent.github.io/easybuild/files/hust14_paper.pdf]]

| *Command (Short- and Long-form)* | *Meaning* |
| module av[ailable] | Lists all currently available modules |
| module spider | List all available modules with their description |
| module spider _modulename_ | Show the description of a module and give a hint, which modules have to be loaded to make it available. |
| module li[st] | Lists all modules in the actual enviroment |
| module show _modulname_ | Lists all changes caused by a module |
| module add modul1 modul2 ... | Adds module to the current environment |
| module rm modul1 modul2 ... | Deletes module from the current environment |
| module purge | Deletes all modules from current environment |
Hierarchical module naming scheme means that you do not see all modules at the same time. You will have to load a toolchain or compiler first to see the software that has been compiled with those. At the moment there are the following toolchains:

   * foss/2016b and foss/2017a GCC with !OpenMPI
   * intel/2016b and intel/2017a Intel Compiler with Intel MPI
   * goolfc/2016.10 Only on the k20gpu nodes for CUDA

If you want to use the Intel compiler, you can type for example the following:
<verbatim>
module add intel/2016b
module av</verbatim>

and you will see the software that has been compiled with this version. Alternatively you can use the "module spider" command.

---++++ Using the module command in submit scripts

_This is only valid for the u0dawin queue_

If you want to use the _module_ command in submit scripts, the line

<verbatim>
source /etc/profile.d/modules.sh; source /etc/profile.d/modules_local.sh</verbatim>

has to be added before. Otherwise, just put the "module add" commands in your .bashrc (which can be found in your home-directory).

---++ Monitoring

[[http://palma3.uni-muenster.de/ganglia/?c=palma-ng&m=load_one&r=hour&s=by%20name&hc=4&mc=2][Ganglia]]

If you have X forwarding enabled, you can use llview (Just type "llview" at the command line).

<img alt="llview.png" height="401" src="%ATTACHURLPATH%/llview.png" width="452" />
---++ The batch system

The batch system on PALMA3 is SLURM, but there is a wrapper for PBS installed, so most of your skripts should still be able to work. If you want to switch to SLURM, this document might help you: [[https://slurm.schedmd.com/rosetta.pdf]]

When using PBS skript, there are some differences to PALMA:
   * The first line of the submit script has to be #!/bin/bash
   * A queue is called partition in terms of SLURM. These terms will be used synonymous here.
   * The variable $PBS_O_WORKDIR will not be set. Instead you will start in the directory in which the script resides.
   * For using the "module add" command, you will have to source some scripts first: "source /etc/profile.d/modules.sh; source /etc/profile.d/modules_local.sh"
---+++ Submit a job

Create a file for example called submit.cmd
<verbatim>
#!/bin/bash

# set the number of nodes
#SBATCH --nodes=1

# set the number of CPU cores per node
#SBATCH --ntasks 8

# set a partition
#SBATCH --partition u0dawin

# set max wallclock time
#SBATCH --time=24:00:00

# set name of job
#SBATCH --job-name=test123

# mail alert at start, end and abortion of execution
#SBATCH --mail-type=ALL

# set an output file
#SBATCH --output output.dat

# send mail to this address
#SBATCH --mail-user=your_account@uni-muenster.de

# In the u0dawin queue, you will need the following line
source /etc/profile.d/modules.sh; source /etc/profile.d/modules_local.sh

# run the application
./program</verbatim>

You can send your submission to the batch system with the command "sbatch submit.cmd"

A detailed description can be found here: [[http://slurm.schedmd.com/sbatch.html]]

---+++ Starting jobs with MPI-parallel codes

mpirun will get all necessary information from SLURM, if submitted appropriately. If you for example want to start 128 MPI ranks distributed to four nodes, you could do this the following way:
<verbatim>
srun -p normal --nodes=2 --ntasks=128 --ntasks-per-node=64 --pty bash
mpirun ./program</verbatim>

or for an non-interactive run or put those parameters in the batch script.

For starting hybrid jobs (meaning that they are using MPI and !OpenMP parallelization at the same time), you can use the --cpus-per-task switch.
<verbatim>
srun -p normal --nodes=2 --ntasks=64 --ntasks-per-node=32 --cpus-per-task=2 --pty bash
OMP_NUM_THREADS=2 mpirun ./program</verbatim>

---+++ Show information about the queues
<verbatim>scontrol show partition</verbatim>

---+++ Show information about the nodes
<verbatim>sinfo</verbatim>

---+++ Running interactive jobs with SLURM

Use for example the following command:

<verbatim>srun --partition u0dawin --nodes 1 --ntasks-per-node=8 --pty bash</verbatim>

This starts a job in the u0dawin queue/partition on one node with eight cores.

---+++ Information on jobs

List all current jobs for a user:

<verbatim>squeue -u <username></verbatim>

List all running jobs for a user:

<verbatim>squeue -u <username> -t RUNNING</verbatim>

List all pending jobs for a user:

<verbatim>squeue -u <username> -t PENDING</verbatim>

List all current jobs in the normal partition for a user:

<verbatim>squeue -u <username> -p normal</verbatim>

List detailed information for a job (useful for troubleshooting):

<verbatim>scontrol show jobid -dd <jobid></verbatim>

Once your job has completed, you can get additional information that was not available during the run. This includes run time, memory used, etc.<br /><br />To get statistics on completed jobs by jobID:

<verbatim>sacct -j <jobid> --format=JobID,JobName,MaxRSS,Elapsed</verbatim>

To view the same information for all jobs of a user:

<verbatim>sacct -u <username> --format=JobID,JobName,MaxRSS,Elapsed</verbatim>

Show priorities for waiting jobs:

<verbatim>
sprio</verbatim>

---+++ Controlling jobs

To cancel one job:

<verbatim>scancel <jobid></verbatim>

To cancel all the jobs for a user:

<verbatim>scancel -u <username></verbatim>

To cancel all the pending jobs for a user:

<verbatim>scancel -t PENDING -u <username></verbatim>

To cancel one or more jobs by name:

<verbatim>scancel --name myJobName</verbatim>

To pause a particular job:

<verbatim>scontrol hold <jobid></verbatim>

To resume a particular job:

<verbatim>scontrol resume <jobid></verbatim>

To requeue (cancel and rerun) a particular job:

<verbatim>scontrol requeue <jobid></verbatim>

-- %USERSIG{HolgerAngenent - 2016-08-22}%
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I	Attachment	History	Action	Size	Date	Who	Comment
png	llview.png	r2 r1	manage	49.3 K	2016-12-06 - 12:31	HolgerAngenent
png	palma-ng_batchsystem.png	r2 r1	manage	23.6 K	2017-03-02 - 12:53	HolgerAngenent
Topic revision: r21 - 2017-03-08 - HolgerAngenent
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