How to get Access to Shaheen2? Bilel Hadri Computational Scientist KAUST Supercomputing Core Lab

Transcription

1 How to get Access to Shaheen2? Bilel Hadri Computational Scientist KAUST Supercomputing Core Lab

2 Live Survey Please login with your laptop/mobile h#p://'ny.cc/kslhpc And type the code VF9SKGQ6

3

4 Account Applications Ge9ng an account on Shaheen is a three- step process Your organiza>on or department must submit the Organisa>onal Access Applica>on (OAA), establishing a rela>onship between your home organiza>on and the KAUST Supercompu>ng Laboratory (KSL). You must submit an Individual Account Applica>on, supplying iden>fica>on informa>on from which we can generate login creden>als. You (or your Principal Inves>gator) must submit a Project Proposal project proposal describing the work to be done and the resources your project will require. Send all documents on via projects@hpc.kaust.edu.sa or use the Contact Us form to submit creden>als or other private informa>on. FAQs on the process and requirements for obtaining access to the Shaheen Systems are available here.

5 Computing Resource Allocation Project Type Development Project : System familiariza>on, code por>ng, assessment of performance. Up to 2M of Core hours Produc'on Project: Produc>on run aver applica>ons have been ported and op>mized Project Review Project proposals reviewed monthly by RCAC (Resource Compu>ng Alloca>on CommiXee) Three- step process Computa'onal Readiness Review: Performed by KSL. Jus>fica>on for core hour, portability, scalability, impact on execu>on Scien'fic Readiness Review: Performed by scien>fic peers in the discipline of the proposed project RCAC final review and recommenda>on

6

7

8

9

10 Timeframe Development Project : Within 5 days once all documents submixed. Produc'on Project: Within end of following month, aver RCAC mee>ng Dura'on: up to one year Extension: RCAC may grant extension of dura>on and compute core hours aver progress report( including publica>ons, success stories )

11 Questions?

12 The Programming Enviromment Bilel Hadri Computational Scientist KAUST Supercomputing Core Lab

13 Compiler Driver Wrappers All applica>ons that will run in parallel on the Cray XC should be compiled with standard language wrappers. The compiler drivers for each language are: cc wrapper around the C compiler CC wrapper around the C++ compiler Vn wrapper around the Fortran compiler These scripts will choose the required compiler version, target architecture op>ons, scien>fic libraries and their include files automa>cally from the current used module environment.

14 Compiler Driver Wrappers Use them exactly like you would use the original compiler, e.g. To compile prog.f90 run > ftn -c <any_other_flags> prog.f90 These scripts choose which compiler to use from the loaded ProgEnv module PrgEnv Description Real Compilers PrgEnv-cray Cray Compilation Environment crayftn, craycc, craycc PrgEnv-intel Intel Composer Suite ifort, icc, icpc PrgEnv-gnu GNU Compiler Collection gfortran, gcc, g++

15 Compiler Driver Wrappers Use module swap to change PrgEnv, e.g. > module swap PrgEnv-cray PrgEnv-intel PrgEnv- cray is loaded by default at login. The Cray MPI module is loaded by default (cray- mpich) Use module list to check what is currently loaded Current default modules

16 OpenMP OpenMP is supported by all of the PrgEnvs. CCE (PrgEnv- cray) recognizes and interprets OpenMP direc>ves by default. If you have OpenMP direc>ves in your applica>on but do not want to use them, disable OpenMP recogni>on with hnoopm. PrgEnv Enable OpenMP Disable OpenMP PrgEnv- cray - homp - hnoomp PrgEnv- intel - openmp PrgEnv- gnu - fopenmp

17 Compiler Man Pages For more informa>on on individual compilers PrgEnv C C++ Fortran PrgEnv- cray man craycc man craycc man crayvn PrgEnv- intel man icc man icpc man ifort PrgEnv- gnu man gcc man g++ man gfortran Wrappers man cc man CC man Vn To verify that you are using the correct version of the compiler, use: - V op>on on a cc, CC, or Vn command with Intel and Cray - - version op>on on a cc, CC, or Vn command with GNU Cray Reference Manuals: C and C++: hxp://docs.cray.com/books/s / Fortran: hxp://docs.cray.com/books/s /

18 Compiler Flags Feature Cray Intel GNU Lis>ng - hlist=a - opt- report3 - fdump- tree- all Free Format(Vn) - f free - free - ffree- form Vectoriza>on By default at O1 and above Inter- Procedural Op>miza>on Floa>ng- point Op>miza>on By default at O2 and above By default at O3 or using Vree- vectorize - hwp - ipo - flto (note: link- >me op>miza>on) - hfpn, N=0 4 - fp- model - f[no- ]fast- math or - funsafe- math- op>miza>ons Suggested Op>miza>on (default) - O2 xavx - O2 mavx Vree- vectorize - ffast- math funroll- loops Aggressive Op>miza>on - O3 hfp3 - fast - Ofast mavx - funroll- loops Variables Size (Vn) - s real64 - s integer64 - real0suze 64 - integer- size 64 - freal- 4- real- 8 - finteger- 4- interger- 8

19 Cray Scien'fic Libraries Compiler wrappers takes care of not only the compiler but also libs like BLAS, SCALAPACK, MPI,.. Cray Scien>fic Libraries package, LibSci, is a collec>on of numerical rou>nes op>mized for best performance on Cray systems. LibSci is loaded by default and this is for all programming environment No user flags or op>ons are required for compiling or linking. LibSci library collec>on contains; BLAS, BLACS, LAPACK, ScaLAPACK, IRT, CRAFFT, CASE, FFT, FFTW2, FFTW3 FFTW: Cray s main FFT library is FFTW from MIT with some addi>onal op>miza>ons for Cray hardware Cray PETSc (with CASK Cray Adap>ve Sparse Kernels) Cray Trilinos (with CASK Cray Adap>ve Sparse Kernels)

20 Cray Scien'fic Libraries Cray TPSL (Third Party Scien>fic Libraries) contains a collec>on of outside mathema>cal libraries that can be used with PETSc and Trilinos The TPSL increase the flexibility of PETSc and Trilinos by providing users with mul>ple op>ons for solving problems in dense and sparse linear algebra The cray- tpsl module is automa>cally loaded when PETSc or Trilinos is loaded. The libraries included are MUMPs, SuperLU, SuperLU_dist, ParMe>s, Hypre, Sundials, and Scotch. Intel MKL: The Intel Math Kernel libraries is an alterna>ve to LibSci Features tuned performance for Intel CPUs as well Linking is quite complicated but with Intel compilers (PrgEnv- intel) is usually straighvorward Just need to module load and compile your code

21 Modules Useful module commands: module avail, module list, module load and module swap Type man module to learn how to use them. The module avail list is too long. Useful Op>ons for filtering - U: List all modulefiles of interest to typical user - D: List only default versions of module files - P: List all PrgEnv modulefiles - L: List all library modulefiles module avail S <product> : List all <product> versions available

22 Check the flyer Available on line:

23 Summary Three compiler environments available at XC40: Cray, Intel, and GNU All of them accessed through the wrappers Wn, cc and CC just do module swap to change a compiler! There is no universally fastest compiler but performance depends on the applica>on, even input Use the module available for linking libraries. If you need a library, contact the CS team

24 Ques'ons? #HPCSAUDI17 Follow us on TwiXer: twixer.com/kaust_hpc