Environment Setup, Compilation and Batchjob Systems
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1 MPI p.1/16 Environment Setup, Compilation and Batchjob Systems Introduction to CSC s services Thomas Zwinger thomas.zwinger[at]csc.fi Computational Environment & Application CSC IT Center for Science Ltd. Espoo, Finland
2 MPI p.2/16 Contents CSC s server HP CP4000 BL ProLiant Cray XT4/5 Setting up the system Compilation Batch job systems LSF-HPC, parallel batch job MPI PBS Where to get help
3 MPI p.3/16 HP CP4000 BL ProLiant murska.csc.fi Linux cluster: 4 login-, 544 compute nodes GHz AMD Dual-Core Opteron processors (= 2048 cores) Main memory: 4 TB nodes with 1,2 and 4 GB memory/core Disk capacity: 98 TB of local fast SFS/Lustre disk Communication: InfiniBand (288 port cabinet and 24 port enclosure)
4 MPI p.4/16 Cray XT4/XT5 louhi.csc.fi Linux cluster with enhanced communication hardware (SeaStar2) current configuration: 11 XT 4 cabinets (4048 compute cores) extension fall 2008: + 7 XT 5 cabinets (5376 compute cores = 9424 cores in total) Main memory: 10.3 TB Disk capacity: currently 70 TB
5 MPI p.5/16 Setting up the system load environment with command module checking available modules: louhi-login8 > module avail
6 MPI p.5/16 Setting up the system load environment with command module checking available modules: louhi-login8 > module avail checking currently loaded modules: louhi-login8 > module list Currently Loaded Modulefiles: 1) modules/ ) pgi/ ) pbs/ ) totalview-support/ ) MySQL/ ) xt-totalview/8.4.1b 4) xt-service/2.1.27hd 14) fftw/ ) xt-libc/2.1.27hd 15) xt-libsci/ ) xt-os/2.1.27hd 16) xt-mpt/ ) xt-boot/2.1.27hd 17) xt-pe/2.1.27hd 8) xt-lustre-ss/2.1.27hd ) xt-asyncpe/1.0c 9) xtpe-target-cnl 19) PrgEnv-pgi/2.1.27HD 10) Base-opts/2.1.27HD 20) xtpe-quadcore
7 MPI p.6/16 Setting up on murska/louhi: module switching modules (e.g. from PGI to GNU suite: louhi-login8 > module switch PrgEnv-pgi PrgEnv-gnu
8 MPI p.6/16 Setting up on murska/louhi: module switching modules (e.g. from PGI to GNU suite: louhi-login8 > module switch PrgEnv-pgi PrgEnv-gnu unloading modules: louhi-login8 > module unload PrgEnv-gnu
9 MPI p.6/16 Setting up on murska/louhi: module switching modules (e.g. from PGI to GNU suite: louhi-login8 > module switch PrgEnv-pgi PrgEnv-gnu unloading modules: louhi-login8 > module unload PrgEnv-gnu loading modules: louhi-login8 > module load PrgEnv-pgi
10 MPI p.6/16 Setting up on murska/louhi: module switching modules (e.g. from PGI to GNU suite: louhi-login8 > module switch PrgEnv-pgi PrgEnv-gnu unloading modules: louhi-login8 > module unload PrgEnv-gnu loading modules: louhi-login8 > module load PrgEnv-pgi checking options: louhi-login8 > module help modulename
11 MPI p.7/16 Compilation several compiler suites available (louhi and murska)
12 MPI p.7/16 Compilation several compiler suites available (louhi and murska) default: Portland Group Inc. (PGI) PrgEnv-pgi
13 MPI p.7/16 Compilation several compiler suites available (louhi and murska) default: Portland Group Inc. (PGI) PrgEnv-pgi alternatives:
14 MPI p.7/16 Compilation several compiler suites available (louhi and murska) default: Portland Group Inc. (PGI) PrgEnv-pgi alternatives: PathScale PrgEnv-pathscale
15 MPI p.7/16 Compilation several compiler suites available (louhi and murska) default: Portland Group Inc. (PGI) PrgEnv-pgi alternatives: PathScale PrgEnv-pathscale GNU (open source) PrgEnv-gnu
16 MPI p.7/16 Compilation several compiler suites available (louhi and murska) default: Portland Group Inc. (PGI) PrgEnv-pgi alternatives: PathScale PrgEnv-pathscale GNU (open source) PrgEnv-gnu switch them with module comand: >module switch PrgEnv-pgi PrgEnv-gnu (for default revision)
17 MPI p.7/16 Compilation several compiler suites available (louhi and murska) default: Portland Group Inc. (PGI) PrgEnv-pgi alternatives: PathScale PrgEnv-pathscale GNU (open source) PrgEnv-gnu switch them with module comand: >module switch PrgEnv-pgi PrgEnv-gnu (for default revision) or explicitely the revision: PrgEnv-gnu/3.4.6 PrgEnv-gnu/4.1.2 PrgEnv-gnu/4.2.4
18 MPI p.8/16 Compilation ctnd. Common option switches: -c Compiles only, produces unlinked object filename.o -o filename assigns the name filename to the executable. Default: a.out -g Produces symbolic debug information -Idirname Searches directory dirname for include files or module files -Ldirname Searches directory dirname for for library files specified by -l -llibname -Olevel Searches the specified library file with the name liblibname.a Specifies whether to optimize or not and at which level
19 MPI p.9/16 On louhi: Compilation ctnd. all compiler suites have the same wrapper calls Do not use the suite-specific calls (gcc, pathf90,...) Language Compiler File suffix Fortran 90/95 ftn.f90,.f95,.f,.f90,.f95,.f Fortran 77 f77.f,.f C cc.c,.i C ++ CC.C,.cc,.ii
20 MPI p.9/16 On louhi: Compilation ctnd. all compiler suites have the same wrapper calls Do not use the suite-specific calls (gcc, pathf90,...) Language Compiler File suffix Fortran 90/95 ftn.f90,.f95,.f,.f90,.f95,.f Fortran 77 f77.f,.f C cc.c,.i C ++ CC.C,.cc,.ii Do not use ld for separate linking, use the compiler wrappers
21 MPI p.9/16 On louhi: Compilation ctnd. all compiler suites have the same wrapper calls Do not use the suite-specific calls (gcc, pathf90,...) Language Compiler File suffix Fortran 90/95 ftn.f90,.f95,.f,.f90,.f95,.f Fortran 77 f77.f,.f C cc.c,.i C ++ CC.C,.cc,.ii Do not use ld for separate linking, use the compiler wrappers The CLN OS only supports statically linked objects
22 MPI p.9/16 Compilation ctnd. On louhi: all compiler suites have the same wrapper calls Do not use the suite-specific calls (gcc, pathf90,...) Language Compiler File suffix Fortran 90/95 ftn.f90,.f95,.f,.f90,.f95,.f Fortran 77 f77.f,.f C cc.c,.i C ++ CC.C,.cc,.ii Do not use ld for separate linking, use the compiler wrappers The CLN OS only supports statically linked objects example C program: louhi-login8 >cc hello.c -o hello /opt/xt-asyncpe/1.0c/bin/cc: INFO: linux target is being used 0.272u 4.312s 0: % 0+0k 0+0io 1pf+0w
23 MPI p.10/16 On murska: Compilation ctnd. for MPI compilations all compiler suites have the same wrapper calls Language Compiler File suffix Fortran 90/95 mpif90.f90,.f95,.f,.f90,.f95,.f Fortran 77 mpif77.f,.f C mpicc.c,.i C ++ mpicc.c,.cc,.ii
24 MPI p.10/16 On murska: Compilation ctnd. for MPI compilations all compiler suites have the same wrapper calls Language Compiler File suffix Fortran 90/95 mpif90.f90,.f95,.f,.f90,.f95,.f Fortran 77 mpif77.f,.f C mpicc.c,.i C ++ mpicc.c,.cc,.ii Use the wrapper compiler commands for separate linking
25 MPI p.10/16 Compilation ctnd. On murska: for MPI compilations all compiler suites have the same wrapper calls Language Compiler File suffix Fortran 90/95 mpif90.f90,.f95,.f,.f90,.f95,.f Fortran 77 mpif77.f,.f C mpicc.c,.i C ++ mpicc.c,.cc,.ii Use the wrapper compiler commands for separate linking static as well as shared linking is possible on murska
26 MPI p.11/16 Batch job system Why?: Because demand usually exceeds resources
27 MPI p.11/16 Batch job system Why?: Because demand usually exceeds resources How?: Job management systems...
28 MPI p.11/16 Batch job system Why?: Because demand usually exceeds resources How?: Job management systems... provide different queues for different types of jobs (parallel, serial,... ) attempt to keep load on machine as high as possible try to schedule submitted jobs by evaluating the needed resources
29 MPI p.11/16 Batch job system Why?: Because demand usually exceeds resources How?: Job management systems... provide different queues for different types of jobs (parallel, serial,... ) attempt to keep load on machine as high as possible try to schedule submitted jobs by evaluating the needed resources user should provide as much information as possible (memory, wall clock time,...)
30 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh
31 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh #BSUB -L /bin/csh execution shell environment
32 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh #BSUB -L /bin/csh #BSUB -J anotherjobname execution shell environment name of your job
33 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh #BSUB -L /bin/csh #BSUB -J anotherjobname #BSUB -e parmpi err.%j execution shell environment name of your job system error message output file
34 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh #BSUB -L /bin/csh #BSUB -J anotherjobname #BSUB -e parmpi err.%j #BSUB -o parmpi output.%j execution shell environment name of your job system error message output file system message output file
35 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh #BSUB -L /bin/csh #BSUB -J anotherjobname #BSUB -e parmpi err.%j #BSUB -o parmpi output.%j #BSUB -M 1024 execution shell environment name of your job system error message output file system message output file per-process (soft) memory limit in KB
36 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh #BSUB -L /bin/csh #BSUB -J anotherjobname #BSUB -e parmpi err.%j #BSUB -o parmpi output.%j #BSUB -M 1024 #BSUB -W 00:02 execution shell environment name of your job system error message output file system message output file per-process (soft) memory limit in KB wall clock time in hh:mm
37 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh #BSUB -L /bin/csh #BSUB -J anotherjobname #BSUB -e parmpi err.%j #BSUB -o parmpi output.%j #BSUB -M 1024 #BSUB -W 00:02 #BSUB -n 2 execution shell environment name of your job system error message output file system message output file per-process (soft) memory limit in KB wall clock time in hh:mm number of MPI processes
38 MPI p.12/16 LSF-HPC, parallel batch job MPI #!/bin/csh #BSUB -L /bin/csh #BSUB -J anotherjobname #BSUB -e parmpi err.%j #BSUB -o parmpi output.%j #BSUB -M 1024 #BSUB -W 00:02 #BSUB -n 2 mpirun -srun./hello mpi execution shell environment name of your job system error message output file system message output file per-process (soft) memory limit in KB wall clock time in hh:mm number of MPI processes run the parallel executable
39 MPI p.13/16 LSF-HPC - submitting, monitoring submitting: yourid@murska:/wrk/yourid> bsub < run lsf.sh
40 MPI p.13/16 LSF-HPC - submitting, monitoring submitting: yourid@murska:/wrk/yourid> bsub < run lsf.sh the < is essential!
41 MPI p.13/16 LSF-HPC - submitting, monitoring submitting: yourid@murska:/wrk/yourid> bsub < run lsf.sh the < is essential! or instead interactively: bsub -M W 00:02 -n 2 -Ip mpirun -srun./hello mpi
42 MPI p.13/16 LSF-HPC - submitting, monitoring submitting: yourid@murska:/wrk/yourid> bsub < run lsf.sh the < is essential! or instead interactively: bsub -M W 00:02 -n 2 -Ip mpirun -srun./hello mpi monitoring: bjobs -u yourid
43 MPI p.13/16 LSF-HPC - submitting, monitoring submitting: yourid@murska:/wrk/yourid> bsub < run lsf.sh the < is essential! or instead interactively: bsub -M W 00:02 -n 2 -Ip mpirun -srun./hello mpi monitoring: bjobs -u yourid kill job: bkill job-id
44 MPI p.14/16 PBS Portable Batch System #!/bin/sh
45 MPI p.14/16 PBS Portable Batch System #!/bin/sh #PBS -N jobname name of your job
46 MPI p.14/16 PBS Portable Batch System #!/bin/sh #PBS -N jobname #PBS -j oe name of your job system error message output file
47 MPI p.14/16 PBS Portable Batch System #!/bin/sh #PBS -N jobname #PBS -j oe #PBS -l walltime=00:01:00 name of your job system error message output file wall clock time in hh:mm:ss
48 MPI p.14/16 PBS Portable Batch System #!/bin/sh #PBS -N jobname #PBS -j oe #PBS -l walltime=00:01:00 #PBS -l mppwidth=32 name of your job system error message output file wall clock time in hh:mm:ss number allocated cores
49 MPI p.14/16 PBS Portable Batch System #!/bin/sh #PBS -N jobname #PBS -j oe #PBS -l walltime=00:01:00 #PBS -l mppwidth=32 #PBS -l mppmem=20m name of your job system error message output file wall clock time in hh:mm:ss number allocated cores number allocated memory (in connection with -m option
50 MPI p.14/16 PBS Portable Batch System #!/bin/sh #PBS -N jobname #PBS -j oe #PBS -l walltime=00:01:00 #PBS -l mppwidth=32 #PBS -l mppmem=20m cd $PBS O WORKDIR name of your job system error message output file wall clock time in hh:mm:ss number allocated cores number allocated memory (in connection with -m option change to directory
51 MPI p.14/16 PBS Portable Batch System #!/bin/sh #PBS -N jobname #PBS -j oe #PBS -l walltime=00:01:00 #PBS -l mppwidth=32 #PBS -l mppmem=20m cd $PBS O WORKDIR aprun -n 32 -m 20M./hello name of your job system error message output file wall clock time in hh:mm:ss number allocated cores number allocated memory (in connection with -m option change to directory run the executable
52 MPI p.15/16 PBS - submitting, monitoring submit with: qsub job.sh
53 MPI p.15/16 PBS - submitting, monitoring submit with: qsub job.sh check status: qstat
54 MPI p.15/16 PBS - submitting, monitoring submit with: qsub job.sh check status: qstat delete job: qdel job-id
55 MPI p.15/16 PBS - submitting, monitoring submit with: qsub job.sh check status: qstat delete job: qdel job-id output in file: louhi-login8 /wrk/yourid/helloworld> less test.o64889 Warning: no access to tty (Bad file descriptor). Thus no job control in this shell. Hello world from process 1 of 32 Hello world from process 2 of 32 Hello world from process 3 of 32 Hello world from process 0 of 32.
56 MPI p.16/16 Where to get more information User Guides louhi: murska:
57 MPI p.16/16 Where to get more information User Guides louhi: murska: Software and databases
58 MPI p.16/16 Where to get more information User Guides louhi: murska: Software and databases data storage
59 MPI p.16/16 Where to get more information User Guides louhi: murska: Software and databases data storage CSC Helpdesk (Mo-Fri ): +358-(0) helpdesk[at]csc.fi
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