MERCURY Consortium -

Resources

RESOURCES

32 CPU SGI Origin 300, 32GB Ram, 788Gb of scratch space
4 CPU SGI Origin 300, 2Gb Ram, 63Gb scratch space
28 CPU (generic vendor) Beowulf cluster. Each node has 1 cpu, 512mb Ram, 120 Gb of scratch (shared across all nodes).
156 (38 compute nodes (152), 1 head node (4)) CPU Beowulf cluster from Western Scientific. Each node has 2 - Dual Core Opteron CPU's (total 4 cpus), 2Gb Ram, and share 2TB of scratch space across all 38 nodes.

Total: 220 CPU's 128Gb Ram, ~4 TB Scratch Space

A photo of the two Origin 300s and the Beowulf Cluster. Our Newest Aquisition:

olympus-pompeii herculaneum

                 Of the rack on the left, the two units on top are the                     The rack on the left is our new 2nd Beowulf Cluster.
                8 processor machine. The remaining 8 units comprise                                       It has 39 Dual CPU Opteron's for a total of 156 CPU's.
            the 32 processor machine and nearly a terabyte of disk storage.

The rack on the right, the 1st Beowulf, is a collection of 30 1U Linux PC's.

NETWORK
Consortium members access the MERCURY servers over the internet using encrypted channels (SSH).

The Origin 300s have 100BT NICs, and are connected to a Cisco Catalyst 3254 switch, which is then directly connected, via gigabit ethernet, to Hamilton's backbone. The Beowulf clusters utilize Gigabit Network (1000BT) interconnects straight into the Hamilton Backbone.

HARDWARE
The SGI Origin 300s are comprised of compute modules, with 4 MIPS processors per module, bonded together via NUMA link cables connected to a sprouter. Storage is provided by a TP900 disk array, with 15 disks at 72GB each, for a total of 1080 GB of disk storage.

The 1st Linux cluster has a custom-built 1.8GHz AMD head node which houses the scratch directories and is connected to the compute nodes via private, switched 100BT Ethernet network. The compute nodes are PC Power & Cooling single-processor Intel PIII 1U systems. These systems were chosen for their low-heat output. The system is using the Warewulf Cluster Toolkit for management of the nodes.

The 2nd Linux cluster was purchased from Western Scientific Inc. It is comprised of 1 head node and 38 compute nodes. The head node features two - 2 GHz Dual Core AMD Opteron(tm) Processor 270's. With the Dual core technology each node appears as a 4 CPU compute node. This makes the total (38x4) 152 compute node CPU's.The head node is also a 4 CPU machine boasting 2 Terabytes of scratch space shared across all of the compute nodes.

SYSTEM SOFTWARE
The Origin 300s run on Irix, SGI's own UNIX-like OS. We have installed and support SGI MIPS Pro c, c++, Fortran77 and Fortran90 compilers.

The Beowulf clusters run RedHat Enterprise Linux version 4. Configured with the intel compilers.

CHEMISTRY SOFTWARE
We currently are running Gaussian, DivCon, NWChem, Jaguar, QSite, Macromodel, DL_POLY, VASP and Amber.