HPCVL offers access to the ADF computational chemistry package. This includes the Amsterdam Density Functional (ADF) code for molecular DFT, as well as the BAND solid-state software, and other components. The software runs on our main M9000 comp[ute cluster. To use this software, please type or include in your setup files the command:
Alternatively, you can type
and will be set up for the most current version. If you need to continue to use earlier versions, you can do so by typing
use adf2008.01 or
Details about using ADF on our systems can be found in the FAQ file.
Please let us know if you encounter any problems with the new version or need assistance running ADF jobs.
Apart from a substantial increase in available disk space, some other alteration have been made to our systems:
Note, that if a specific cluster is desired (for instance, if you have compiled code specifically for the M9000 servers) it can be requested by inserting a line:
#$ -l qname=x.q
into the Grid Engine script, where x.q is 25k.q for the Sunfires and m9k.q is for the M9000's.
HPCVL provides resources to many researchers external to the four CFI applicant institutions. The graph below shows external usage of the CFI funded CPU cluster at the central site. The Canada Foundation for Innovation (CFI),the Ontario Innovation Trust (OIT), and the Ontario Ministry of Research and Innovation have funded the resources at that site and the usage is represented as the percent of the usage of that equipment. Currently, 40 CPUs of the 1008 CPU cores Sun Fire cluster are set aside as workup and test resources and are not included in the percent usage of the cluster.
The total number of installed CPUs in the Sun Fire cluster is 1008 with the additional CPUs being funded through the Sun Microsystems. The total disk storage capacity is 160 TB of T3 StorEdge.