Resources

This page contains resources for running ONETEP on various computing facilities.

Please note that a recent change to some browsers the configuration files will not open directly in a browser window. Should you be affected by this, download the files and access them directly.

Darwin

Description The Cambridge High Performance Computing Cluster.

585 dual socket Dell 1950 1U rack mount server nodes, each consisting of two 3.00 GHz dual core Intel Woodcrest processors.
Last updated 17 July 2009
Config file conf.darwin
Submit Script submit.darwin

HECToR

Description The Edinburgh Parallel Computing Centre "High End Computing Terascale Resource".

The XT4 comprises 1416 compute blades, each of which has 4 dual-core processor sockets with AMD 2.8 GHz Opterons with 6GB RAM.
Last updated 06 Oct 2011
Config file conf.hector
Submit Script submit.hector

Iridis3

Description The Iridis3 supercomputer at the University of Southampton

1008 Compute Nodes with two 4-core 2.27 Ghz Nehalem processors, providing over 72 TFlops.
Last updated 01 Aug 2011
Config file conf.iridis3
Submit Script submit.iridis3

Iridis3 GPU nodes

Description The GPU nodes of the Iridis3 supercomputer at the University of Southampton

30 Compute Nodes with one 8-core 2.4 Ghz Xeon processors and two NVIDIA Tesla 20-series, M2050, GPU processors.
Last updated 19 Feb 2013
Config file conf.iridis3.gpu
Submit Script submit.iridis3.gpu

Iridis4

Description The Iridis4 supercomputer at the University of Southampton

12200 cores (250 TFLOPS), 24 Intel Xeon Phi accelerators (25 TFLOPS)
Last updated 20 May 2013
Config file conf.iridis4

Emerald GPU cluster

Description The GPU nodes of the Emerald cluster at Rutherford Appleton Laboratory. Please note that the use of the numawrap8gpu script along with exclusive use of nodes is important in order to get optimal performance.

60 HP SL390 compute nodes with two 6-core X5650 Intel Xeons and three 512-core M2090 NVIDIA GPUs and 48GB memory.

24 HP SL390 compute nodes with two 6-core X5650 Intel Xeons and eight 512-core M2090 NVIDIA GPUs and 96GB memory.

Currently, due to issues with the MVAPICH2 implementation of MPI, it is best to exclusively use the 8 GPU nodes and to use n*8 threads.

Last updated 19 Feb 2013
Config file conf.emerald.gpu
Submit Script submit.emerald.gpu
QPI script numawrap8gpu

CX1

Description The Imperial High Performance Computing Cluster.

510 dual core nodes of 3 different configurations (Intel Xeon EM64T CPUs running at 3.6 GHz with 2GB / node, Intel Xeon dual core 5150 CPUs running at 2.66 GHz with 4GB /node, intel Xeon dual core 5150 CPUs running at 2.66 GHz with 8GB /node).
Last updated 31 Oct 2008
Config file conf.cx1
Submit Script submit.cx1

CMTH Network

Description Desktops in the Imperial College Condensed Matter Theory Group and Thomas Young Centre.

HPs with Intel Dual-Core Core2 CPUs and 4GB RAM.
Last updated 31 Oct 2008
Config file conf.cmth
Submit Script submit.cmth

Workstation PCs in Southampton

Description The new-build RHEL PCs in Southampton

These have Intel quad-core COREi7 processors with HyperThreading, and 12GB of RAM.
Last updated 25 May 2011
Config file conf.soton