Imperial RSE Community - Events

Imperial Research Software Engineering Community Meeting - 22nd March 2017 - Modern Fortran for Computational Science, Dr Wadud Miah, Numerical Algorithms Group

 

WEDNESDAY 22ND MARCH 2017 - 16:30-18:00 - SOUTH KENSINGTON CAMPUS - HUXLEY BUILDING LECTURE THEATRE 311

The March 2017 meeting of the Imperial College Research Software Engineering (RSE) Community will take place on Wednesday 22nd March, 16:30 – 18:00 in the Huxley Building, LT311, on the South Kensington Campus. We are pleased to welcome Dr Wadud Miah from Numerical Algorithms Group who will be speaking on modern Fortran.

The agenda is as follows:

16:30 Welcome and Introduction

16:35 Modern Fortran for Computational Science - Dr Wadud Miah, Numerical Algorithms Group

17:30 Networking; Drinks and snacks available

Free registration for this event is available at: http://imperialrse-mar17.eventbrite.co.uk

Abstract: Modern Fortran for Computational Science

Fortran is the dominant programming language of computational science. Codes written in Fortran account for over 80% of CPU cycles on the Archer UK supercomputer service and around 70% of CPU cycles on the top 500 supercomputers in the world. Surveys have shown that a large percentage of the computational community are still using the Fortran 77 standard and uptake on the more modern standards (e.g. 95, 2003 and 2008) are still lagging behind. Anecdotal evidence has shown that scientists are using non-standard compiler specific features which reduces the portability of their codes. This presentation will give an update on the latest Fortran standards to increase the portability and performance of computational codes.

Speaker biography: Wadud Miah completed his PhD at the Aeronautics department at Imperial College and used modern Fortran extensively for his research. He has worked as a computational scientist at various institutions where he used modern Fortran to advance computational science. He now works for the Numerical Algorithms Group as a HPC specialist and is running the Fortran Modernisation Workshop (http://www.nag.co.uk/content/fortran-modernization-workshop).


 

Past Events


 

Imperial Research Software Engineering Community Meeting - Friday 30th September 2016

FRIDAY 30TH SEPTEMBER 2016 - 10:00-12:00 - SOUTH KENSINGTON CAMPUS - HUXLEY BUILDING LECTURE THEATRE 311

This event is part of the Imperial's HPC Service Summer School week.

This session will include four talks and a panel discussion. The schedule is as follows:

09:45 Coffee and pastries available
10:00 Session introduction and RSE update
  (Jeremy Cohen, Department of Computing, Imperial College)
10:15 Parallel Programming for the 21st Century
  (Victor Eijkhout, Texas Advanced Computing Centre)
10:55 Spectral/hp element computation on HPC infrastructure
  (Chris Cantwell, Department of Aeronautics, Imperial College London)
11:15 Title TBC
  (Anna Freni-Sterrantino, Small Area Health Statistics Unit)
11:35 Panel discussion: The challenges and importance of good research software development practices for HPC
Panel members:  
  Simon Burbidge, Imperial HPC Service
  Victor Eijkhout, Texas Advanced Computing Centre
  Spencer Sherwin, Department of Aeronautics
  David Colling, Department of Physics
  Stephen McGough, University of Durham

Imperial Research Software Engineering Community Meeting - 26th May 2016 

THURSDAY 26TH MAY - 16:00-18:00 - SOUTH KENSINGTON CAMPUS - HUXLEY BUILDING LECTURE THEATRE 144

The May 2016 meeting of the Imperial College Research Software Engineering (RSE) Community will take place on Thursday 26th May, 16:00 – 18:00 in the Huxley Building, LT144, on the South Kensington Campus. We will have a main talk from Dr Peter Vincent, Department of Aeronautics and lead of the PyFR project (http://www.pyfr.org), followed by a set of 3-minute lightning talks* and an RSE discussion.

Please register for this event at: https://imperial-rse-may16.eventbrite.co.uk

The agenda is as follows:

16:00    PyFR: Next-Generation High-Order Computational Fluid Dynamics on Modern Hardware Platforms, Peter Vincent, Department of Aeronautics

16:30    3-minute lightning talks*

         Ghislain Vaillant - A methodology for library design - introducing Armin Ronacher's beautiful native libraries approach

         Ally Donaldson - Metamorphic testing         

         Jonathan Passerat-Palmbach - Scala in 2016 - Welcome to the Future[Today]

         Maxime Noel - Research Software Engineering with Python

         Francois Piat - The ArrayFire GPU programming library

         Sarah Stewart - Software management plans

         Torsten Reimer - Software version control and GitHub Enterprise

17:00    RSE discussion

17:30    Networking; Drinks and snacks available

Main talk:

PyFR: Next-Generation High-Order Computational Fluid Dynamics on Modern Hardware Platforms

High-order numerical methods for unstructured grids combine the superior accuracy of high-order spectral or finite difference methods with the geometrical flexibility of low-order finite volume or finite element schemes. The Flux Reconstruction (FR) approach unifies various high-order schemes for unstructured grids within a single framework. Additionally, the FR approach exhibits a significant degree of element locality, and is thus able to run efficiently on modern many-core hardware platforms, such as Graphical Processing Units (GPUs). The aforementioned properties of FR mean it offers a promising route to performing affordable, and hence industrially relevant, scale-resolving simulations of hitherto intractable unsteady flows within the vicinity of real-world engineering geometries. In this talk I will present PyFR (www.pyfr.org), an open-source Python based framework for solving advection-diffusion type problems using the FR approach. The framework is designed to solve a range of governing systems on mixed unstructured grids containing various element types. It is also designed to target a range of hardware platforms via use of a custom Mako-derived domain specific language. The latest release of PyFR is able to solve the compressible Euler and Navier-Stokes equations on grids of quadrilateral and triangular elements in two dimensions, and hexahedral, tetrahedral, prismatic, and pyramidal elements in three dimensions, targeting clusters of multi-core CPUs, NVIDIA GPUs, AMD GPUs, Intel Xeon Phis, and heterogeneous mixtures thereof. Results will be presented for various benchmark and `real-world' flow problems, and scalability of PyFR will be demonstrated on clusters with 1000s of NVIDIA GPUs. Throughout the talk the importance of algorithm-software-hardware co-design, in the context of next-generation computational fluid dynamics, will be highlighted.

Project page: http://www.pyfr.org

* Lightning talks: The lightning talks are intended to provide an opportunity for you to give a brief, informal overview of a topic that you think may be of interest to other community members. You may want to introduce an application or tool you've been working on or a library that you think may be of interest to other developers. Perhaps you've recently read a great blog post that you'd like to highlight, or you have an RSE-related idea you'd like to present and get some feedback on in the susequent discussion session.

  • Lightning talks will have a limit of 3 minutes each.
  • Presenters may provide 1 slide to use as a background for their presentation.


Imperial Research Software Engineering Community Meeting - February 2016

WEDNESDAY 17TH FEBRUARY - 16:15-18:00 - SOUTH KENSINGTON CAMPUS - HUXLEY BUILDING LECTURE THEATRE 311

Continuing the programme of RSE community meetings, this session will focus on computational and research data support software with an introduction from the College's Research Data Management team followed by talks on two tools OpenMOLE (http://www.openmole.org) and FGLab (https://kaixhin.github.io/FGLab/). Tea/coffee will be available from 15:45 and there will be an opportunity to network with other attendees following the talks.

SESSION INTRODUCTION: RESEARCH DATA MANAGEMENT

Sarah Stewart, Research Data Support, Central Library

THE OPENMOLE WORKFLOW ENGINE: EXPLORATION OF SCIENTIFIC APPLICATIONS AT SCALE USING DISTRIBUTED COMPUTING.

Speaker: Jonathan Passerat-Palmbach, Department of Computing

OpenMOLE (Open MOdeL Experiment) is a scientific workflow management system with a strong emphasis on workload distribution. The OpenMOLE platform is formed of a combination of 1) reusable cutting edge methods and exploratory algorithms, 2) expressed using a high level workflow formalism and 3) exploiting distributed computing (clusters, grids, clouds) to scale up to the needs of real world scientific experiments.

OpenMOLE makes it simple to execute existing applications on distributed computing environments. If you want to execute the same program for many different inputs (parameters or datasets), OpenMOLE is the tool you need.


The typical usages of OpenMOLE are high performance model calibration, model exploration, machine learning, optimization, data processing.

FGLAB: EXPERIMENTAL DASHBOARD

Speaker: Kai Arulkumaran, Department of Bioengineering

FGLab is an electronic lab notebook that is designed to make prototyping experiments easier. Experiment details and results are sent to a database, which allows analytics to be performed after their completion. FGLab is designed to be used with existing code in a way that is independent of either programming language or operating system, and can scale up from a single machine to a small group of machines. In this talk I will introduce how FGLab enables a more systematic approach in the exploratory stages of research, and finish with a live demo.
Project page: https://kaixhin.github.io/FGLab/


Imperial Research Software Engineering Community Meeting - January 2016

WEDNESDAY 20TH JANUARY - 16:00-18:00 - SOUTH KENSINGTON CAMPUS - HUXLEY BUILDING ROOM 217/218

Continuing the programme of RSE community meetings, this event will include two talks followed by drinks and an opportunity to network with colleagues from across Imperial. Join us in Huxley 217/218 from 4.00pm on Wednesday 20th Jan.

OPEN SOURCE SOFTWARE PACKAGING, DISTRIBUTION AND MAINTENANCE

Speaker: Dr Ghislain Vaillant, Department of Computing

This talk will look at distribution and maintenance of open source software from the perspective of Ghislain's experience working with the Debian Linux community.

HPC AND COMPUTATIONAL METHODS TRAINING

Speaker: Dr Katerina Michalickova, Imperial College HPC Service

I will introduce the HPC service group and describe the resources available to the College community. The second part of the talk will focus on training in HPC and computational methods in general.  Here, I will present the Computational Methods Hub that is dedicated to training of doctoral students.


 

Imperial Research Software Engineering Community - Tech Talk & Networking Kick-off Event

WEDNESDAY 2nd December - 16:30-18:30 - SOUTH KENSINGTON CAMPUS - HUXLEY BUILDING ROOM 217/218

This will be the first in a series of regular tech talk & networking community events within Imperial. Join us at 4.30pm for two short talks followed by drinks and an opportunity to network with colleagues from across Imperial.

To help give an idea of the number of attendees and to plan catering, please register for this event via EventBrite.

Draft Agenda:

16:30: Welcome and introduction to the RSE community - Jeremy Cohen, Department of Computing

16:45: Research data management for developers and scientists - Torsten Reimer, Scholarly Communications Officer, Research Office

17:05: Python for MATLAB users: An introduction to Python for scientific computation - Ed Smith, Department of Chemical Engineering

17:30: Drinks reception and networking

Research data management for developers and scientists - Dr Torsten Reimer

I will discuss the policy landscape relating to research data and software and the emerging College infrastructure in this area, present preliminary results from a survey on College support for distributed version control and start a discussion on how the College could support research software development and developers.

Speaker Bio: 

Dr Torsten Reimer is Scholarly Communications Officer at Imperial College London, where he manages the cross-College Open Access and Research Data Management activities. Torsten is working with sector bodies, funders and vendors to improve the scholarly communications system and is involved in initiatives such as ORCID. He is also a fellow of the UK's Software Sustainability Institute. Before joining Imperial College, Torsten worked at the digital infrastructure service provider Jisc, King's College London, the University of Munich, the Bavarian State Library and a software company.

Python for MATLAB users: An introduction to Python for scientific computation - DR Edward Smith

In many departments at Imperial, programming in MATLAB is the only experience students get of writing code. While MATLAB is excellent for numerical work, it is a commercial program, focused on numerical tasks & obscures important concepts in programming. In this talk, the open source language Python is introduced as an alternative to MATLAB. The pros and cons are discussed along with a few minimal examples of Python code. Python constructs such as lists, objects & iterators are introduced. The key libraries are discussed which allow Python to be used for scientific applications. The talk will finish with a few example projects by the speaker which have used Python.

The talk is aimed at existing users of MATLAB but should be of interest to people wanting a very brief introduction to Python for use in scientific computing.

Speaker Bio:

I am a research associate in chemical engineering at Imperial. My research aims to develop software which couples discrete particle based methods to continuum grid based techniques on high performance computers. I first learnt MATLAB as an undergrad and over the last 7 years have taught and applied it extensivly to scientific simulation & post processing. My PhD work started with emphasis on low level programming in Fortran to maximise efficiency but over time has shifted to improving reusability for collaborative projects with version control. The shift to Python happened gradually (and somewhat grudgingly) over the last 4 years. Python is now completely established as a replacement for MATLAB in my work.

External Events

The following external events may be of interest to community members:

SOFTWARE SUSTAINABILITY INSTITUTE COLLABORATIONS WORKSHOP 2017 - 27-29 MARCH 2017, LEEDS, UK

See https://www.software.ac.uk/cw17 for more information.