Resources

Workstations

Our workstations include two GPUs (Nvidia GTX-class for GPU computing and Nvidia Quadro) and Intel Xeon-based CPUs with 12 cores. 

Salerno   12 Cores Intel, 64 GB, GPU GeForce GTX 980 Ti

Genova   2x Gold 6130 2.1GHz Sixteen-Core Procs, 192 GB, GPU RTX 2080

Trieste   2x Gold 6130 2.1GHz Sixteen-Core Procs, 192 GB, GPU RTX 2080 

Napoli   2x Gold 6130 2.1GHz Sixteen-Core Procs, 192 GB, GPU RTX 2080

Palermo   2x Gold 6130 2.1GHz Sixteen-Core Procs, 192 GB, GPU RTX 2080

 

Servers

Basilicata  Main Server: 9x 14TB SATA HDDs. It hosts the users home and our codes. We have the latest versions of Amber, NAMD and Gromacs for classical MD, Gaussian for QM calculations, CPMD & CP2K for ab-initio MD. We also have browndye, APBS, modeller and Situs, and we are working to add Tinker.

AltoAdige  Backup Server: 9x 14TB SATA HDDs. AltoAdige performs the back-up of Basilicata every night!

High Performance Computing

UCR HPCC Local cluster @UCR. Based on Intel (50%) and AMD (50%) cores. Provides us local CPUs for classical MD simulations.

San Diego Super Computing Center – Comet. Intel-Xeon cluster at the San Diego Super Computing Center. Provides us computer time for QM/MM simulations and ab-inito MD. We access Comet thanks to XSEDE (grant TG-MCB160059).