SEE-GRID-SCI. Cluster installation and configuration. SEE-GRID-SCI Training Event, Yerevan, Armenia, July 2008

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1 SEE-GRID-SCI Cluster installation and configuration SEE-GRID-SCI Training Event, Yerevan, Armenia, July 2008 Mikayel Gyurjyan Institute for Informatics and Automation Problems National Academy of Sciences of the Republic of Armenia The SEE-GRID-SCI initiative is co-funded by the European Commission under the FP7 Research Infrastructures contract no

2 Outline Common Cluster Kits Oscar Installation And Configuration Overview MPI Compliant Library MPICH Basics PBS ( Portable Batch System ) Ganglia Introduction and Overview Cluster Parallel and Computing Libraries ArmCluster Architecture SEE-GRID-SCI Training Event, Yerevan, Armenia, July

3 Cluster Software Stack SEE-GRID-SCI Training Event, Yerevan, Armenia, July

4 Common Cluster Kits Rocks NPACI Rocks is an Open Source toolkit for building and managing Linux Clusters. It s primary goal is to enable users with limited experience to build and manage their own clusters. Rocks provides a turn-key solution, that allows deployment of clusters in an automated fashion. Oscar (Open Source Cluster Application Resources) enables users to install a Beowulf type HPC cluster. It also contains everything needed to administer & program this type of cluster. OSCAR s flexible package management system has a rich set of prepacked applications and utilities which means you can get up and running without laboriously installing and configuring complex cluster administration & communication packages. Current release: version 5.0 (November 2006) SEE-GRID-SCI Training Event, Yerevan, Armenia, July

5 The OSCAR Project(1) a snapshot of the best known methods for building, programming, and using HPC clusters Easy to install software bundle Everything needed to install, build, maintain and use a Linux cluster SEE-GRID-SCI Training Event, Yerevan, Armenia, July

6 The OSCAR Project(2) What does it do? OSCAR is a cluster software packaging utility Automatically configures software components Reduces time to build a cluster Reduces need for expertise Reduces chance of incorrect software configuration Increases consistency from one cluster to the next What will it do in the future? Maintain cluster information database Work as an interface not just for installation, but also for maintenance Accelerate software package integration into clusters SEE-GRID-SCI Training Event, Yerevan, Armenia, July

7 The OSCAR Project(3) Installs on a number of OS's Fedora Core 5 Fedora Core 4 Mandriva Linux 2006 Red Hat Enterprise Linux 4 (x86, ia64, x86_64) Red Hat Enterprise Linux 3 (x86, ia64, x86_64) SuSE Linux 10.0 Scientific Linux 4 Scientific Linux 3 CentOS 4 CentOS 3 Nodes are installed using system imager Includes a packet filter SEE-GRID-SCI Training Event, Yerevan, Armenia, July

8 OSCAR components Administration/ Configuration SIS, C3, OPIUM, Kernel-Picker & cluster services (dhcp, nfs, ntp,...) Security: Pfilter, OpenSSH HPC Services/T ools Parallel Libs: MPICH, LAM/MPI, PVM, Open MPI OpenPBS/MAUI, Torque, SGE HDF5 Ganglia, Clumon Other 3 rd party OSCAR Packages Core Infrastructure/M anagement System Installation Suite (SIS), Cluster Command & Control (C3), Env-Switcher OSCAR DAtabase (ODA), OSCAR Package Downloader (OPD) SEE-GRID-SCI Training Event, Yerevan, Armenia, July

9 Installation Overview Install RedHat Download OSCAR Print/Read document Copy RPMS to server Run wizard (install_cluster) Build image per client type (partition layout, HD type) Define clients (network info, image binding) Setup networking (collect MAC addresses, configure DHCP, build boot floppy) Boot clients / build Complete setup (post install) Run test suite Use cluster

10 OSCAR: Step by Step Log on to server as root mkdir p /tftpboot/rpm copy all RedHat rpms from CDs to /tftpboot/rpm download OSCAR tar zxvf oscar-x.x.tar.gz cd oscar-x.x./configure make install Puts things in /opt/oscar as default (can alter this with the prefix flag should you require)./install_cluster <interface>

11 OSCAR: Step by Step After untarring, run the install_cluster script

12 After starting services, dumps you into GUI wizard OSCAR: Step by Step

13 OSCAR: Step by Step Step 1: Select Oscar Packages to Install

14 OSCAR: Step by Step Step 2: Configure Selected OSCAR Packages

15 OSCAR: Step by Step Step 3: Install OSCAR Server Packages This button installs the selected OSCAR packages on the server. You can monitor the progress of the installation using the messages displayed in the console windows used to start the OSCAR Installation Wizard.

16 OSCAR: Step by Step Step 4:Build OSCAR Client Image Build image with default or custom rpm lists and disk table layouts. Image build progress displayed

17 OSCAR: Step by Step Step 5: Define OSCAR clients Associate image(s) with network settings.

18 OSCAR: Step by Step Step 6: Setup Networking Collect MAC addresses and configure DHCP

19 OSCAR: Step by Step Intermediate Step: Network boot client nodes If the nodes are PXE capable, select the NIC as the boot device. Don t make this a static change, however. Otherwise, just use the autoinstall floppy disk. It is less convenient than PXE, but a reliable failsafe.

20 Intermediate Step: Boot Nodes Floppy or PXE (if available) OSCAR: Step by Step

21 OSCAR: Step by Step Step 7: Complete Cluster Setup Output displayed in terminal window.

22 OSCAR: Step by Step Step 8: Run Test Suite

23 OSCAR: Step by Step Add OSCAR Clients

24 OSCAR: Step by Step Delete OSCAR Clients

25 MPI Compliant Library MPICH Developed by Argon National laboratory Current version is Support MPI 1.2 and part of MPI 2.0 C, C++ and Fortran LAM Developed by The University of Notre Dame Current version is C++

26 Architecture MPICH Basics(1) of MPICH MPICH consists of: libraries and include files - libmpi, mpi.h compilers mpicc(c), mpicc(c++),mpif90(fortran 90,mpif77(Fortran 77). mpicc helloworld.c o helloworld These know about things like where relevant include and library files are runtime loader mpirun mpirun [mpirun_options...] <progname> [options...] Has arguments -np <number of nodes>, and -machinefile <file of nodenames> implements SPMD paradigm by starting a copy of program on each node. The program must therefore do any differentitation itself (using MPI_Comm_size() and MPI_Comm_rank() functions). SEE-GRID-SCI Training Event, Yerevan, Armenia, July

27 Architecture MPICH Basics(2) of MPICH It consists of: Tools for measuring performance - Mpptest, Goptest Debugging dbx,gdb,xxgdb,totalview Starting jobs with a debugger mpirun -dbg=gdb or mpirun -dbg=gdb a.out Analisis tools MPE (Multi-Processing Environment ) Logfile viewers - Jumpshot SEE-GRID-SCI Training Event, Yerevan, Armenia, July

28 PBS ( Portable Batch System ) What is PBS? PBS is a distributed workload management system. As such, PBS handles the management and monitoring of the computational workload on a set of one or more computers. Different flavors of PBS: PBS Pro Open PBS Torque ( Scalable PBS ) Provides queuing, scheduling, and monitoring of jobs We can replaced the standard Open PBS scheduler with the Maui scheduler

29 OpenPBS(1) The OpenPBS, is a batch job and computer system resource management package. While you are using cluster, you will need OpenPBS to control your jobs. OpenPBS consist of four major components: commands, the job Server, the job executor, and the job Scheduler.

30 OpenPBS(2) Commands: PBS supplies both command line commands and a graphical interface. Job Server: The Server s main function is to provide the basic batch services such as receiving/creating a batch job, modifying the job, protecting the job against system crashes, and running the job. Job Executor: The job executor is the daemon which actually places the job into execution. Job Scheduler: The Job Scheduler is another daemon which contains the site s policy controlling which job is run and where and when it is run.

31 OpenPBS Job Flow User Node (runs qsub) Job output rcp/scp Server (queues job) Execution host (mother superior) Scheduler (tells server what to run) Compute Nodes

32 Architecture of MPICH MAUI OpenPBS gives us the flexibility to extend it s own scheduling abilities by integrating with Maui. Maui is an advanced sheduler that allows us to implement policybased scheduling. It also implements what is known as back-fill. Backfill will force jobs that have been queued for a very long time to run. Maui also has much greater fair share overseeing power. Maui has much improved job and queue statistics as well as advanced statistics gathering and reporting tools. SEE-GRID-SCI Training Event, Yerevan, Armenia, July

33 How Architecture PBS Handles of MPICH a Job User determines resource requirements for a job and writes a batch script. User submits job to PBS with the qsub command. PBS places the job into a queue based on its resource requests and runs the job when those resources become available. The job runs until it either completes or exceeds one of its resource request limits. PBS copies the job s output into the directory from which the job was submitted and optionally notified the user via that the job has ended SEE-GRID-SCI Training Event, Yerevan, Armenia, July

34 How to submit Architecture a job to the of MPICH queue? 1. Make sure you have the appropriate software 2. Gather any necessary data files 3. Create a PBS script 4. Submit the job (qsub) 5. Monitor your job s progress 6. Get the output SEE-GRID-SCI Training Event, Yerevan, Armenia, July

35 1. Architecture Appropriate software MPICH Need software compiled for Linux Choice of compiler Intel (Fortran 77/90/95, C/C++) Portland Group (Fortran 77/90/HPF, C/C++) Absoft (Fortran 77/90/95) Multiprocessor support MPI libraries Parallel Libraris Myrinet libraries SEE-GRID-SCI Training Event, Yerevan, Armenia, July

36 2. Architecture Necessary of data MPICH files Provide needed input files, data files, etc. Consider using local /tmp instead of accessing /home through the network Important for frequently accessed input or output files Also important if using many nodes SEE-GRID-SCI Training Event, Yerevan, Armenia, July

37 3. Create Architecture a PBS of script(1) MPICH First, an aside What is a shell script? For that matter, what is a shell? A shell is a text-based user interface You type commands, it executes them A shell script is a series of shell commands Instead of typing directly to the prompt, commands are placed in a file A PBS job script is a special shell script SEE-GRID-SCI Training Event, Yerevan, Armenia, July

38 3. Create Architecture a PBS of script(2) MPICH A PBS job script has two main parts: PBS directives Start with #PBS Commented-out with #-PBS Tell PBS how to run the job Shell commands The actual job logic What to do How to do it Where to do it SEE-GRID-SCI Training Event, Yerevan, Armenia, July

39 3. Create Architecture a PBS of script(3) MPICH PBS Directives can specify many things Output and notification #PBS j oe put stdout and stderr in the same file #PBS M address #PBS m bea send on job begin, end & abort Resource requirements Number and type of nodes Memory requirements Time limitations Etc. SEE-GRID-SCI Training Event, Yerevan, Armenia, July

40 3. Create Architecture a PBS of script(4) MPICH Resource requirement examples #PBS l nodes=1 #PBS l nodes=8:ppn=2:myrinet #PBS l walltime=24:00:00 #PBS l cput=384:00:00 (16 processors * 24 hrs) #PBS l pmem=256mb #PBS l mem=4096mb (16 processors * 256 mb) SEE-GRID-SCI Training Event, Yerevan, Armenia, July

41 3. Create Architecture a PBS of script(5) MPICH After the PBS directives, add the commands that you want run Create directories Copy files Execute programs Possibly add looping, nested jobs, etc. SEE-GRID-SCI Training Event, Yerevan, Armenia, July

42 Architecture 4. Submit of the MPICH job Before submitting, you may what to check the current state of the cluster qstat Q Submit the job qsub yourfile.pbs qstat u yourusername qalter l resourcelist jobnumber qdel jobnumber SEE-GRID-SCI Training Event, Yerevan, Armenia, July

43 5. Monitor Architecture your job s of progress MPICH Queue monitoring qstat u yourusername qstat a jobnumber qstat f jobnumber qstat -h qdel jobnumber SEE-GRID-SCI Training Event, Yerevan, Armenia, July

44 Architecture 6. Get the of MPICH output PBS s you a notification when your job Begins Ends Is aborted PBS also creates output files In addition to your normal program output stdout: filename.ojobnum stderr: filename.ejobnum File management You will quickly accumulate lots of files Group output files by job Include copies of job script and input files SEE-GRID-SCI Training Event, Yerevan, Armenia, July

45 A Sample PBS Batch Submission Architecture of Script(1) MPICH #!/bin/csh # # file: pbs.template # # purpose: template for PBS (Portable Batch System) script # # remarks: a line beginning with # is a comment; # a line beginning with #PBS is a pbs command; # assume (upper/lower) case to be sensitive; # # use: submit job with # qsub pbs.template # # job name (default is name of pbs script file) #PBS -N myjob # # resource limits: number of CPUs to be used #PBS -l ncpus=25 # # resource limits: amount of memory to be used #PBS -l mem=213mb SEE-GRID-SCI Training Event, Yerevan, Armenia, July

46 A Sample PBS Batch Submission Architecture of Script(2) MPICH # resource limits: max. wall clock time during which job can be running #PBS -l walltime=3:20:00 # # path/filename for standard output #PBS -o mypath/my.out # # path/filename for standard error #PBS -e mypath/my.err # # queue name, one of {submit, special express} # The default queue, "submit", need not be specified #PBS -q submit # # send me mail when job begins #PBS -m b # send me mail when job ends #PBS -m e # send me mail when job aborts (with an error) #PBS -m a SEE-GRID-SCI Training Event, Yerevan, Armenia, July

47 A Sample PBS Batch Submission Architecture of Script(3) MPICH # export all my environment variables to the job #PBS -V # The following reflect the environment where the user ran qsub: # PBS_O_HOST The host where you ran the qsub command. # PBS_O_LOGNAME Your user ID where you ran qsub. # PBS_O_HOME Your home directory where you ran qsub. # PBS_O_WORKDIR The working directory where you ran qsub. # # These reflect the environment where the job is executing: # PBS_ENVIRONMENT Set to PBS_BATCH to indicate the job is a batch job, or # to PBS_INTERACTIVE to indicate the job is a PBS interactive job. # PBS_O_QUEUE The original queue you submitted to. # PBS_QUEUE The queue the job is executing from. # PBS_JOBID The job's PBS identifier. # PBS_JOBNAME The job's name. ### SEE-GRID-SCI Training Event, Yerevan, Armenia, July

48 Ganglia Introduction Architecture and of Overview MPICH Scalable Distributed Monitoring System Targeted at monitoring clusters and grids Multicast-based Listen/Announce protocol Depends on open standards XML XDR compact portable data transport RRDTool - Round Robin Database APR Apache Portable Runtime Apache HTTPD Server PHP based web interface or SEE-GRID-SCI Training Event, Yerevan, Armenia, July

49 Architecture Ganglia Architecture of MPICH Gmond Metric gathering agent installed on individual servers Gmetad Metric aggregation agent installed on one or more specific task oriented servers Apache Web Frontend Metric presentation and analysis server Ported to various different platforms (Linux, FreeBSD, Solaris, others) SEE-GRID-SCI Training Event, Yerevan, Armenia, July

50 Ganglia Architecture Apache Web Frontend Web Client GMETAD Poll Poll GMETAD Failover Poll Failover Failover Poll Cluster 1 Cluster 2 Cluster 3 GMOND Node GMOND Node GMOND Node GMOND Node GMOND Node GMOND Node GMOND Node GMOND Node GMOND Node

51 Architecture Ganglia(1) of MPICH SEE-GRID-SCI Training Event, Yerevan, Armenia, July

52 Architecture Ganglia(2) of MPICH SEE-GRID-SCI Training Event, Yerevan, Armenia, July

53 Architecture Ganglia(3) of MPICH SEE-GRID-SCI Training Event, Yerevan, Armenia, July

54 Cluster Parallel and Computing Architecture of Libraries MPICH Mathematical FFTW (Fast Fourier Transform) BLAS Basic Linear Algebraic Subprograms PBLAS (Parallel Basic Linear Algebra Software) Atlas (a collections of mathematical library) SPRNG (scalable parallel random number generator) MPITB -- MPI toolbox for MATLAB LAPACK Linear Algebra Package MKL - Intel Math Kernel Library ScaLAPACK A parallel version of LAPACK, a collection of Fortran subroutines built on BLACS (Basic Linear Algebra Communication Subprograms), LAPACK and message passing interface. SEE-GRID-SCI Training Event, Yerevan, Armenia, July

55 Cluster Parallel and Computing Architecture of Libraries MPICH Molecular Dynamic solver Gamess - The General Atomic and Molecular Electronic Structure System NAMD - parallel, object oriented molecular dynamics code Gromacs - GROningen MAchine for Chemical Simulations is a molecular dinamic simulation package Quantum Chemistry software Gaussian Qchem Weather modelling MM5 ( SEE-GRID-SCI Training Event, Yerevan, Armenia, July

56 ArmCluster Architecture Architecture of MPICH SEE-GRID-SCI Training Event, Yerevan, Armenia, July

57 Architecture Accessing the of cluster MPICH Access the cluster head node from your desktop computer using an ssh client program Windows SSH Secure Shell (SecureCRT) PuTTY OpenSSH (Cygwin) Macintosh OS X and Linux OpenSSH User authentication (login) Use your cluster userid and password SEE-GRID-SCI Training Event, Yerevan, Armenia, July

58 Architecture Data of Transfer MPICH Use the tools provided by the ssh client on your desktop computer SSH Secure Shell has a graphical user interface PuTTY has a command line tool called pscp.exe OpenSSH (Cygwin, Linux, Mac OS X) has the command scp Use sftp to transfer files between the cluster and other Unix machines Probably need dos2unix to fix files after transfer SEE-GRID-SCI Training Event, Yerevan, Armenia, July

59 Armcluster Architecture user of MPICH policy Users are allowed to remote login from Internet. All users must use their own user account to login. The Access Point (frontend) is used only for login, simple editing of program source code, preparing the job dispatching script and dispatching of jobs to compute node. No foreground or background can be run on it. Dispatching of jobs must be done via the OpenPBS system SEE-GRID-SCI Training Event, Yerevan, Armenia, July

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