Computational Resources


The Jakubikova group currently maintains a 304-processor cluster composed of five 12-core 4-socket AMD Opteron compute nodes, with 2 GB of memory per core and 1 TB disk and one 16-core 4-socket node, with 4 GB memory per core and 6 TB disk.

Through the agreement via North Carolina State University, we are also able to use site licenses for the Gaussian 09 source code and GaussView for Mac workstations. The PI’s group further holds licenses for Molcas, VASP, and the Portland Group Compiler for Windows/Linux/Mac workstations.

NC State Computing

North Carolina State University is a home to NC State High-Performance Computing center that maintains the IBM Blade Center Linux Cluster (Henry2). Henry2 has 1219 Xeon compute nodes. Each node has two Xeon processors (mix of single-, dual-, and quad-core), two gigabytes of memory per core and a 37-73 GB disk. In addition to general availability to the NCSU researchers, the Jakubikova group has access to a dedicated queue (36 processors) on Henry2.