eMinerals people Member sites eMinerals science Documents Site map

Environment from the Molecular Level

A NERC eScience testbed project

Condor: A Tool For Creating a Desktop Grid

Condor was developed as a means to utilise idle computing time on desktop machines. Two examples used in the eMinerals minigrid are groups of teaching computers and the desktop computers in a research group. A Condor setup has one machine acting as the master node, and all others acting as clients, thereby defining a Condor pool. The master node handles control of jobs submitted to the condor pool, which includes the tasks of job scheduling and resource brokering, job monitoring, and data transfer. Any number of the machines within a pool can be configured to allow job submission. In a pool composed of teaching computers, it may be most sensible to have only one submit node, but in a pool based on owned desktop machines it is likely to be more transparent to users to allow all machines to be capable of submitting jobs.

Condor has a number of key grid facilities built in. These include:

It may be questioned whether, by some definitions, Condor is a true Grid tool, in that it operates on locally-controlled resources. It is in fact possible to join separate Condor pools together in a process known as “flocking” to form what would be called a true grid. Unfortunately this process does not yet handle well the problems caused by firewalls or the use of private IP addresses, and hence has not been used extensively.

General references

Papers that describe the eMinerals science areas are:

  1. Environment from the molecular level: an escience testbed project.
    MT Dove, M Calleja, J Wakelin, K Trachenko, G Ferlat, P Murray-Rust, NH de Leeuw, Z Du, GD Price, PB Wilson, JP Brodholt, M Alfredsson, A Marmier, RP Tyer, LJ Blanshard, RJ Allan, K Kleese van Dam, IT Todorov, W Smith, VN Alexandrov, GJ Lewis, A Thandavan, SM Hasan.
    Proceedings of UK e-Science All Hands Meeting 2003, (EPSRC, ISBN 1-904425-11-9) pp 302–305

  2. Grid computing and molecular simulations: the vision of the eMinerals project.
    MT Dove and NH de Leeuw.
    Molecular Simulations 31, 297–301, 2005

  3. Collaborative grid infrastructure for molecular simulations: The eMinerals minigrid as a prototype integrated compute and data grid.
    M Calleja, R Bruin, MG Tucker, MT Dove, RP Tyer, LJ Blanshard, K Kleese van Dam, RJ Allan, C Chapman, W Emmerich, PB Wilson, JP Brodholt, A Thandavan, VN Alexandrov.
    Molecular Simulations 31, 303–313, 2005

  4. eMinerals: Science Outcomes enabled by new Grid Tools.
    M Alfredsson, E Artacho, M Blanchard, JP Brodholt, CRA Catlow, DJ Cooke, MT Dove, Z Du, NH de Leeuw, A Marmier, SC Parker, GD Price, JMA Pruneda, W Smith, I Todorov, K Trachenko, and K Wright.
    Proceedings of All Hands 2005 (ISBN 1-904425-53-4), pp 788–795, 2005