Upcoming workshops

Course in molecular modelling of surfaces and surface reactions

The University of Cape Town will be running a short postgraduate course “Introduction to Molecular Modelling” (CHE5047Z). The course will be given by experts in the field of molecular modelling of, in particular, surface reactions/systems from Sasol, i.e. Dr Werner Janse van Rensburg, Dr Melissa Petersen, Dr Pieter van Helden and Dr Jan-Albert van den Berg.

This is a useful opportunity for students starting to work in the area of molecular modelling of solids to obtain a first introduction in this specialized area. 

Course outline:

  1. Introduction with case studies
  2. Molecular Basis (Molecular systems, theory levels, basis sets, transition states, property calculations, optimization)
  3. Periodic basis (bulk and surfaces, band structure, DOS, planse wave calculations)
  4. Molecular dynamics
  5. Surface reactivity (surface energy, role of facets, alloying)
  6. Kinetic analysis

The course will start in the week of 12 March and will be given in blocks with appropriate tutorials as follows:

Section 1: Molecular Systems, Dr Werner Janse van Rensburg

Wednesday 12 March: 10-11am and 2-5pm

Thursday 13 March: 2-5 pm


Section 2: Periodic Systems, Dr Jan-Albert van den Berg

Wednesday 26 March: 10-11am and 2-5pm

Thursday 27 March: 2-5 pm


Section 3: Surfaces, reactivity and heterogeneous catalysis, Dr Melissa Petersen

Wednesday 2 April: 10-11am and 2-5pm

Thursday 3 April: 2-5 pm


Section 4: Kinetic Analyses, Dr Pieter van Helden

Wednesday 14 May: 10-11am and 2-5pm

Thursday 15 May: 2-5 pm


For inquiries, please contact:

Prof. E. van Steen

Centre for Catalysis Research

Department of Chemical Engineering

Office 5.10

University of Cape Town

 Tel.: +27 (0)21 650 3796 (office)

FAX: + 27 (0)86 754 8934

Email Prof. van Steen


CHPC Ranger System Administration Course

    When: 24 to 28 March 2014
    Where: CHPC, Rosebank, Cape Town

The CHPC is looking to distribute small compute clusters to groups that could benefit from having access to such hardware for training users on HPC basics before they need access to large clusters such as the CHPC. As part of this objective we have created 12 node clusters by breaking-up racks of compute hardware that used to make up the Ranger Supercomputer. This training course will cover the topics necessary for hosting a rack of Ranger hardware, such as, a hardware overview and the data-center preparation details, both of which are specific to Ranger. We include a generic software stack that can be used for managing most small clusters but which has been selected as our recommendation for managing the Ranger hardware.
Course Outline
Introduction and Background:

  • Cluster Basics (with Ranger Specific hardware overview) and Software Stack overview
  • Networking Configuration for Ranger
  • Data-center Preparation for Ranger

Node Provisioning:

  • Cobbler: Usage, demonstration and re-creating practical

Change Management:

  •     Concepts of Change Management
  •     Software options
  •     Example usage and modules

Cluster Software Configuration:
Required software for management:
    Configuration examples

Cluster Usage:

  • Torque scheduler usage
  • Benchmarking

Limited Places
There are only 18 available places in this course owing to its intensive volume of content and practical focus. For this reason, we may not be able to accept all the applicants from the same group.

    Linux command line and environment knowledge
    HPC usage knowledge
    Strong background in IP networking
    Experience with disk cloning and provisioning tools would be an advantage

Application Forms
    Application Form is available here.
    Applications close on Friday the 14th March at 10am to ensure enough time for travel arrangements.

CHPC Student Cluster Competition 2013

Tsessebe Cluster Available

Graphical Processing Unit Cluster Available

CHPC SAGrid Cluster Available

Dirisa Storage Unit Available

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