KAUST Supercomputing Laboratory Newsletter 13th July

Maintenance Session Tuesday 2nd August

The next maintenance session will be on Tuesday 2nd August from 09:00 until 17:00. There will be no access to the system during this period.

KSL Workshop Series: Introduction to Parallel Computing on Shaheen II

Thursday, 14th July from 10:00 am - 12:30 pm

SeaView room, Level 3, University Library

The aim of this course is to give new users of Shaheen II an introductory overview of the system and its usage, and to help them make efficient use of their allocated resources.

Seats are limited. Please register your interest at: https://www.surveymonkey.com/r/7JZ5S76

    •    10:00 a.m. - Overview of Shaheen II
    •    10:10 a.m. - Shaheen II Architecture
    •    10:40 a.m. - Programming Environment
    •    11:00 a.m. - Programming with MPI
    •    11:30 a.m. - Performance Tuning
    •    12:00 p.m. - Application Software
    •    12:15 p.m. - Job Scheduler Commands (Slurm)

Tip of the Week: MKL Library on Shaheen II

On Shaheen Cray XC40,  Math Kernel Libraries (MKL) can be used as an alternative to the default LibSci, the Cray scientific libraries package, containing the BLAS, LAPACK,  ScaLAPACK and FFT libraries. 

Use MKL with the Intel compilers (PrgEnv-intel) as follows:

>  module swap PrgEnv-cray PrgEnv-intel
> module unload cray-libsci
> ftn -o exe code.f -mkl  or cc –o exe code.c –mkl 

The flag “-mkl” by default will use the threaded libraries as if you choose “-mkl=parallel”. If you need sequential libraries, use “-mkl=sequential” flag and if ScaLAPACK with threaded libraries is needed, use “-mkl=cluster” flag option.

Nevertheless, it is highly advised to get the right sequence  of linking depending on your choice on calling the MKL library in your code ( threaded or sequential, statically or dynamically) by using the  Intel MKL link line advisor, https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor . This website will help you to have the optimised and correct way to compile it either with Intel combined with an openmp code or other compilers like GNU.

For GNU, you can keep the PrgEnv-gnu module and you will need to load the intel module to get the MKLROOT environment variable if needed.

 

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http://www.hpc.kaust.edu.sa/tip/