Sometimes I have to put text on a path
Showing posts with label 0-command. Show all posts
Showing posts with label 0-command. Show all posts

Wednesday, April 1, 2015

A PBS script is a standard Unix/Linux shell script that contains a few extra comments at the beginning that specify directives to PBS. These comments all begin with #PBS.


PBS USER GUIDE


Overview

PBS is a job resource manager. A job is defined as a computational task such as computational simulation or data analysis. PBS provides job queuing and execution services in a batch cluster environment.
In the HPC systems, PBS works with the Moab job scheduler. PBS provides job information to Moab and Moab tells PBS which jobs to run and on what compute nodes in a cluster to run the jobs on.

Job Limits

PBS is configured on each system to have a number of separate job queues. There is a default queue on each system that every user has access to. Each funding group has its own queue.
These limits are placed on funding group queues:
Funding Group Queue Limits
LimitLion-X*
Maximum Walltime (Hours)96 (default) to 336+
Maximum Processors in Use Per UserNo Limit
Maximum Job Size (Processors)32
Note that the walltime limits placed on funding group queues are arbitrary and can be adjusted at the request of the group's PI.
If you believe you're part of a funding group of a system and you don't know what queue you should be using, please email us at support@ics.psu.edu stating what group you are part of and that you need to know your group queue.
These limits are placed on system default queues:
System Default Queue Limits
LimitLion-X*Lion-XKCyberStarClsf
Maximum Walltime (Hours)242496No Limit
Maximum Processors in Use Per User32No LimitNo LimitNo Limit
Maximum Job Size (Processors)32512 (nodes=64:ppn=8)256 (nodes=32:ppn=8)128 (nodes=1:ppn=128)
Most queue limits can be checked by running the command qstat -q.

Submitting a Job

Jobs are submitted to a PBS queue so that PBS can dispatch them to be run on one or more of a cluster's compute nodes. There are two main types of PBS jobs:
  • Non-interactive Batch Jobs: this is the most common PBS job. A job script is created that contains PBS resource requests and the commands necessary to execute the job. The job script is then submitted to PBS to be run non-interactively.
  • Interactive Batch Jobs: this is a way to get an interactive terminal on one or more of the compute nodes of a cluster. Commands can then be run interactily through that terminal directly on the compute nodes for the duration of the job. Interactive jobs are helpful for such things as program debugging and running many short jobs.

Non-interactive Batch Jobs

There are two steps to running a non-interactive batch job:
  1. Create a PBS Script
    A PBS script is a standard Unix/Linux shell script that contains a few extra comments at the beginning that specify directives to PBS. These comments all begin with #PBS. The most important PBS directives are:
    Definition of Important PBS Directives
    PBS DirectiveDescription
    #PBS -l walltime=HH:MM:SSThis directive specifies the maximum walltime (real time, not CPU time) that a job should take. If this limit is exceeded, PBS will stop the job. Keeping this limit close to the actual expected time of a job can allow a job to start more quickly than if the maximum walltime is always requested.
    #PBS -l pmem=SIZEgbThis directive specifies the maximum amount of physical memory used by any process in the job. For example, if the job would run four processes and each would use up to 2 GB (gigabytes) of memory, then the directive would read #PBS -l pmem=2gb. The default for this directive on Lion-XF and Lion-LSP is 1 GB (gigabyte) of memory. Other Lion clusters do not currently set a default.
    #PBS -l nodes=N:ppn=MThis specifies the number of nodes (nodes=N) and the number of processors per node (ppn=M) that the job should use. PBS treats a processor core as a processor, so a system with eight cores per compute node can have ppn=8 as its maximum ppn request. Note that unless a job has some inherent parallelism of its own through something like MPI or OpenMP, requesting more than a single processor on a single node is usually wasteful and can impact the job start time.
    #PBS -q queuenameThis specifies what PBS queue a job should be submitted to. This is only necessary if a user has access to a special queue. This option can and should be omitted for jobs being submitted to a system's default queue.
    #PBS -j oeNormally when a command runs it prints its output to the screen. This output is often normal output and error output. This directive tells PBS to put both normal output and error output into the same output file.
    The following is an example PBS script.
    # This is a sample PBS script. It will request 1 processor on 1 node
    # for 4 hours.
    #   
    #   Request 1 processors on 1 node 
    #   
    #PBS -l nodes=1:ppn=1
    #
    #   Request 4 hours of walltime
    #
    #PBS -l walltime=4:00:00
    #
    #   Request 1 gigabyte of memory per process
    #
    #PBS -l pmem=1gb
    #
    #   Request that regular output and terminal output go to the same file
    #
    #PBS -j oe
    #
    #   The following is the body of the script. By default,
    #   PBS scripts execute in your home directory, not the
    #   directory from which they were submitted. The following
    #   line places you in the directory from which the job
    #   was submitted.
    #
    cd $PBS_O_WORKDIR
    #
    #   Now we want to run the program "hello".  "hello" is in
    #   the directory that this script is being submitted from,
    #   $PBS_O_WORKDIR.
    #
    echo " "
    echo " "
    echo "Job started on `hostname` at `date`"
    ./hello
    echo " "
    echo "Job Ended at `date`"
    echo " "
    Note that the above example script is for a non-MPI job. Information on how to write PBS scripts for MPI jobs can be found in the MPI software pages.
  2. Submit the PBS Script to PBS for Execution
    Once a PBS script is created, it needs to be submitted to PBS so that it becomes eligible to be run. The command to submit a script to PBS is called qsub. The syntax of qsub is:
    qsub scriptfile
    The following is an example of using qsub to submit a PBS script called myjob.
    % qsub myjob
    95.lionxj.rcc.psu.edu
    The job script myjob has just been submitted to PBS and has been assigned the Job_ID 95.lionxj.rcc.psu.edu. This Job_ID can later be used to control the job.

Interactive Batch Jobs

Interactive PBS jobs are similar to non-interactive PBS jobs in that they are submitted to PBS via the command qsub. Submitting an interactive PBS job differs from a non-interactive PBS job in that a PBS script is not necessary. All PBS directives can be specified on the command line.
The syntax for qsub for submitting an interactive PBS job is:
qsub -I ... pbs directives ...
The -I flag above tells qsub that this is an interactive job. The following example shows using qsub to submit an interactive job using one processor on one node for four hours.
lionxi:~$ qsub -I -l nodes=1:ppn=1 -l walltime=4:00:00
qsub: waiting for job 1064159.lionxi.rcc.psu.edu to start
qsub: job 1064159.lionxi.rcc.psu.edu ready

lionxi25:~$
There are two things of note here. The first is that the qsub command doesn't exit when run with the interactive -I flag. Instead, it waits until the job is started and gives a prompt on the first compute node assigned to a job. The second thing of note is the prompt lionxi25:~$ - this shows that commands are now being executed on the compute node lionxi25.

Checking Job Status

The command to check job status is qstatqstat has many options. Some common ones are:
PBS Commands for Checking Job Status
Command NameDescription of Command Functionality
qstatShows the status of all PBS jobs. The time displayed is the CPU time used by the job.
qstat -sShows the status of all PBS jobs. The time displayed is the walltime used by the job.
qstat -u useridShows the status all PBS jobs submitted by the user userid. The time displayed is the walltime used by the job.
qstat -nShows the status all PBS jobs along with a list of compute nodes that the job is running on.
qstat -f jobidShows detailed information about the job jobid.
A job can be in several different states. The most common ones are:
PBS Job States
StateMeaning
QThe job is queued and is waiting to start.
RThe job is currently running.
EThe job is currently ending.
HThe job has a user or system hold on it and will not be eligible to run until the hold is removed.
  • Example: qstat output
    lionxj:~$ qstat
    Job id        Name           User     Time Use S Queue
    ------------- -------------- -------- -------- - -----
    10.lionxj     sparse         abc123   188:20:2 R lionxj
    11.lionxj     test           jwh128   00:00:18 R lionxj-admin
    ...

    • Job id: the job's unique indentifier
    • Name: name of the job
    • User: user that owns the job
    • Time UseCPU time used by the job
    • S: state of the job
    • Queue: the queue the job is in
  • Example: qstat -s output
    lionxj:~$ qstat -s
    
    lionxj.rcc.psu.edu: 
                                                            Req'd  Req'd   Elap
    Job ID        Username Queue    Jobname  SessID NDS TSK Memory Time  S Time
    ------------- -------- -------- -------- ------ --- --- ------ ----- - -----
    10.lionxj.rcc abc123   lionxj   sparse   5793     4  --    2gb 190:0 R 189:2
        --
    11.lionxj.rcc jwh128   lionxj-a test     11946    3  --    --  500:0 R 166:5
        -- 
    ...

    • Job id: the job's unique indentifier
    • Username: user that owns the job
    • Queue: the queue the job is in
    • Jobname: the name of the job
    • NDS: the number of compute nodes the job is using
    • Req'd Memory: the memory requested for the job
    • Req'd Time: the walltime requested for the job
    • S: the state of the job
    • Elap Time: the elapsed walltime for the job

Deleting a Job

The command to delete a job is qdel. Its syntax is "qdel Job_ID".
PBS Commands for Deleting Jobs
Command NameDescription of Command Functionality
qdel Job_IDDeletes the job identified by Job_ID.
qdel $(qselect -u username)Deletes all jobs belonging to user username.
  • Example: deleting a job with Job_ID 10
    lionxj:~$ qdel 10
  • Example: deleting all jobs belonging to user abc123
    lionxj:~$ qdel $(qselect -u abc123)

Viewing Job Output

By default PBS will write screen output from a job to the follwing files:

PBS Output Files
Output File NameContents of Output File
Jobname.oJob_IDThis file would contain the non-error output that would normally be written to the screen.
Jobname.eJob_IDThis file would contain the error output that would normally be written to the screen.
If the PBS directive #PBS -j oe is used in a PBS script, the non-error and the error output are both written to the Jobname.oJob_ID file.

More Information

More information on PBS and PBS scripts can be found in the man pages for the commands qsubpbs_resourcesqstat, and qdel.

Ref: https://rcc.its.psu.edu/user_guides/system_utilities/pbs/

Tuesday, March 31, 2015

Introduction à l’utilisation d’Occigen du cines



Le système d’exploitation est de type linux basé sur une BullX AE4 (Redhat 6.4).Le cluster comprend plusieurs nœuds de connexion pour les utilisateurs. Lorsque la connexion est établie, l’utilisateur se trouve sur un de ces nœuds. L’affectation des connexion se fait en fonction de la disponibilité des noeuds de login. Il peut arriver que vous ne soyez pas connecter au même moment sur un noeud identique.
Occigen comprend 34 racks :
  • 27 racks de calcul (cf. description architecture)
  • 7 racks assurant la connexion, les machines de service et de gestion des disques.

Le cluster comprend 50544 cœurs répartis sur 2106 nœuds (chacun disposant de 2 processeurs Intel 12-Cores (E5-2690 à 2.6 GHz).
La machine est découpée en deux. La moitité des noeuds dispose de 64 Go de mémoire, l’autre moitié de 128 Go utile soit plus de 202 To au total. Les racks de calcul sont connectés à 5 racks montés sur un système de fichiers partagés Lustre avec une capacité de 5 Po utile au total. Le refroidissement est assuré par un système haut rendement à eau tiède directement dans les noeuds (mode DLC Direct Liquid Cooling).

La comptabilisation de la consommation, en heures de calcul sur ce cluster, est basée sur le temps d’utilisation des ressources (temps ELAPSED) et non plus sur le temps CPU. 
Les systèmes de fichier sont de deux types. Le /scratch (utilisé pour le stockage des résultats des calculs est de type Lustre. Il dispose de plus de 5 Po de surface utile et d’une bande passante maximum qui dépasse les 105 Go/s.
Le /home est de type Panasas, il est utilisé pour stocker les codes à executer, il profite d’une surface de 260 tO et d’une bande passante de 10 Go/s.
Pour stocker les résultat de façon plus sure, chaque noeud de la machine accède au système de fichier /store. Celui-ci est aussi un système Lustre, mais avec des mécanisme de sécurisation avancés (stockage dupliqué et conservation sur bandes). Il doit être utilisé pour assurer la bonne conservation des résultats.


----------------------------------------------------

Introduction à l’utilisation d’Occigen 

 Avant de commencer, il vous faut votre login et votre mot de passe Occigen. Si vous n’avez pas encore votre mot de passe, appelez le service svp au 04.67.14.14.99. 
Connexion à Occigen 
 Si vous êtes sous Windows, lancez un client SSH (putty, kitty) pour vous connecter à l'adresse d'Occigen : occigen.cines.fr Dans les paramètres de Putty : Category/SSH/X11 cochez la case ‘Enable X11 forwarding’ afin d’activer le renvoi des fenêtres graphiques. 
 Si vous êtes sous Linux, ouvrez un terminal, et connectez-vous à Occigen : ssh –X login@occigen.cines.fr 
Vous arrivez dans votre repertoire /home/login sur un nœud de connexion. Sur Occigen il y a plusieurs nœuds de connexion qui servent à compiler le programme, à le soumettre sur les nœuds de calcul et à accéder aux fichiers de résultats. 
L’environnement d’Occigen 
Sur Occigen, il y a un système de modules. Le chargement d’un module permet de modifier ou de positionner des variables d’environnement (PATH, LIBRARY_PATH etc…). Pour voir les modules chargés : login@occigen:~$ module list 1) /opt/modules/modulefiles/oscar-modules/1.0.3 
Aucun module n’est chargé par défaut (sauf le module qui gère les modules)

Bibliothèques communes

Les bibliothèques disponibles peuvent être visualisées ou chargées via les commandes :
  • module avail (pour lister ce qui est disponible)
  • module load  (pour charger une librairie ou un logiciel dans votre environnement).
  • module list (pour voir ce que vous avez déjà chargé).
  • module purge (pour retirer un environnement déjà chargé).
  • module show (pour voir le contenu du module)
-----------

Exécution et suivi d’un job

Il existe deux manières de lancer des travaux sur Occigen (ou ex-Jade)  : session interactive et session batch.
La première permet de se connecter aux nœuds de calcul via PBS pour ensuite pouvoir lancer des travaux en lignes sur ceux-ci.
La deuxième utilise des scripts PBS pour lancer des travaux en batch.
Attention : vous devez travailler dans votre espace /scratch !

Session Interactive

Pour avoir accès à une session interactive, la commande qsub -I est utilisé. Par exemple, pour avoir accès à 2 nœuds de calcul la commande suivante est utilisée :
>$ qsub -I -l select=2:ncpus=8:mpiprocs=8 -l walltime=00:05:00
Celle-ci permet de réserver, dans ce cas, 2 nœuds de calcul. L’utilisateur est connecté au premier nœud de calcul de la liste contenant les 2 nœuds réservés. Le temps maximum possible pour les sessions interactives est de 2 heures.
1. Exécuter un programme MPI :
>$ qsub -I -l select=2:ncpus=8:mpiprocs=8 -l walltime=00:05:00
Avec la librairie MPT , la commande suivante permet le binaire :
>$ mpiexec my_MPI_prog 
Pour cet exemple, le calcul sera exécuté avec 16 processus MPI.
2. Exécuter un programme OpenMP :
>$ qsub -I -l select=1:ncpus=8 -l walltime=00:05:00
L’exécution d’un binaire utilisant OpenMP se déroule de la même façon qu’un exécutable série excepté le fait qu’il faut spécifier le nombre de threads utilisés (nombre maximum de threads = 8) :
>$ export OMP_NUM_THREADS = number_of_threads
>$ ./my_openmp_prog
3. Exécuter un programme hybride (OpenMP / MPI)
>$ export OMP_NUM_THREADS = number_of_threads
>$ mpiexec ./my_hybrid_prog
L’exemple suivant concerne l’exécution d’une application avec 4 tâches MPI par nœud et 2 threads OpenMP par tâche MPI :
>$ qsub -I -l select=2:ncpus=8:mpiprocs=4 -l walltime=00:05:00
>$ export OMP_NUM_THREADS = 2
>$ mpiexec ./my_hybrid_prog
https://www.cines.fr/calcul/materiels/le-supercalculateur-jade/execution-et-suivi-dun-job/
------------
ref:
https://www.cines.fr/calcul/materiels/occigen/environnement/

Monday, March 30, 2015

LAMMPS: OS X with Homebrew

OS X with Homebrew

LAMMPS can be downloaded, built, and configured for OS X easily with Homebrew.

Paste that at a Terminal prompt:
ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"



Only four of the LAMMPS packages are unavailable at this time because of additional needs not yet met: KIM, GPU, USER-CUDA, USER-ATC.
After installing Homebrew, you can install LAMMPS on your system with the following commands:
% brew tap homebrew/science
% brew install lammps              # serial version
% brew install lammps --with-mpi   # mpi support 
This will install the executable "lammps", a python module named "lammps", and additional resources with all the standard packages. To get the location of the additional resources type this:
% brew info lammps 
This command also tells you additional installation options available. The user-packages are available as options, just install them like this example for the USER-OMP package:
% brew install lammps --enable-user-omp 
It is usually best to install LAMMPS with the most up to date source files, which can be done with the "--HEAD" option:
% brew install lammps --HEAD 
To reinstall the LAMMPS HEAD, run this command occasionally (make sure to use the desired options).
% brew install --force lammps --HEAD ${options} 
Once LAMMPS is installed, you can test the installation with the Lennard-Jones benchmark file:
% brew test lammps -v 

Friday, March 27, 2015

Terminal.app Mac OSX List Unix commands


Terminal (Terminal.app) is the terminal emulator included in the OS X operating system by Apple.
As a terminal emulator, the application provides text-based access to the operating system (or server) , in contrast to the mostly graphical nature of the user experience of OS X, by providing a command line interface to the operating system when used in conjunction with a Unix shell, such as bash.
Now with OSX 10.9.1, version of Terminal = 2.4

The preferences dialog for Terminal.app in OS X 10.8 (Mountain Lion) offers choices for values of the TERMenvironment variable
Available options are ansidttermnstermrxvtvt52vt100vt102xtermxterm-16color andxterm-256color, which differ from the OS X 10.5 (Leopard) choices by dropping the xterm-color and adding xterm-16color and xterm-256color
These settings do not alter the operation of Terminal, and the xterm settings do not match the behavior of xterm.
Terminal includes several features that specifically access OS X APIs and features. These include the ability to use the standard OS X Help search function to find manual pages and integration with Spotlight

List Unix commands
http://www.math.harvard.edu/computing/unix/unixcommands.html
http://unixhelp.ed.ac.uk/alphabetical/index.html
http://unixhelp.ed.ac.uk/CGI/man-cgi?ls
gives "ls" with all options

http://www.unix-manuals.com/tutorials/unix/change-password/password-change.html

By alphabetical orders:
http://en.wikipedia.org/wiki/List_of_Unix_commands

Three Terminal Commands to get you started (mac apple; linux; Unix)

If you’re running Mac OS X, or your favourite flavour Linux, you’re all set. Just fire up the terminal, and keep going. 

there’s a good change you’ll want to see the contents of a file from the terminal sooner or later. There’s a few commands that will do this for you. First is catcat is short for “concatenate”, and this command does more than output file contents; however, that’s what we’ll look at here. It’s as simple as passing the command a file:
However, if the file is large, the contents will all scroll past you and you’ll be left at the bottom. Granted, you can scroll back up, but that’s lame. How about using less?
Less is a much better way to inspect large files on the command line. You’ll get a screen-full of text at a time, but no more. You can move a line up or a line down with the k and j respectively, and move a window up or down with b and f. You can search for a pattern by typing /pattern. When you’re done, hit q to exit the less viewer.
Most of the commands you’ll use in a bash shell are pretty flexible, and have a lot of hidden talents. If you suspect a command might do what you want, or you just want to see some general instruction on using a command, it’s time to hit the manuals, or man pages, as they’re called. Just type man followed by the command you’re curious about.
You’ll notice that the man pages are opened in less.