ARCHER Best Practice Guide

Version 4.0 (August 2013)

Andrew Turner (EPCC) a.turner@epcc.ed.ac.uk
Xu Guo (EPCC) xguo@epcc.ed.ac.uk
Lilit Axner (KTH) lilit@kth.se
Mark Filipiak (EPCC) m.filipiak@epcc.ed.ac.uk

This guide includes sections detailing the hardware, optimising your code (in serial and parallel), profiling your code and debugging your code. This guide is also being continually updated with more content.

The Best Practice Guide is based on work by staff at EPCC and KTH (Sweden) as part of the PRACE (Partnership for Research and Advanced Computing in Europe) initiative.

Contents

1. Introduction

Description of the guide and useful links.

2. System Architecture and Configuration

Detailed description of the ARCHER hardware and system software. This includes a in-depth look at the Intel Xeon E5-2697 (Ivy Bridge) architecture and memory layout.

3. Programming Environment

Details on how to compile codes; use numerical libraries; MPI libraries and other parallel programming options.

Job Submission System

Advanced use of the ARCHER batch system.

Performance analysis

How to use the performance analysis tools installed on the system.

6. Tuning

Tips on how to optimise the performance of your code in both serial and parallel.

7. Debugging

How to use the debugging tools installed on the system.

8. I/O on ARCHER

This section provides information on getting the best performance out of the parallel /work file systems on ARCHER when writing data, particularly using parallel I/O patterns.

9. Tools