★ In-house computing hardware:
★ Nanochem1, a Linux cluster built by Aspen Systems which has
★ A head node of 16 AMD Opteron cores and 64 GB Memory
★ 16 compute nodes: each has 64 AMD Opteron cores and 128 GB Memory
★ Total: 1040 cores and 2176 GB Memory
★ Nanochem4: a Linux cluster built by Aspen Systems which has
★ A head node of 16 Intel Xeon Silver 4110 (Skylake) cores and 96 GB Memory
★ 8 compute nodes: each has 32 Intel Xeon Gold 6130 (Skylake) cores and 96 GB Memory
★ Total: 272 cores and 864 GB Memory
★ Nanochem7, a Linux workstation built by Titanus which has 20 Intel Xeon E5-2600 v2 cores and 128 GBMemory.
★ Turing, a Linux GPU workstation built by Titan Computers, featuring two Intel Xeon Silver CPUs with four Nvidia RTX 3080 GPU cards.
★ Total: 32 CPU cores
★ Total: 128 GB Memory
★ Nanochem3, a Linux GPU server built by Exxact, featuring two Intel Xeon E5-2620 8-core CPUs with eight Nvidia GTX 1080 GPU cards.
★ Total: 16 cores; 32 hyperthreads; 128 GB Memory
★ Supercomputing access
★ Our group has annual allocation of ~5 million CPU hours at National Energy Research Scientific Computing Center (NERSC), the primary scientific computing facility for the Office of Science in the U.S. Department of Energy and operated by Lawrence Berkeley National Laboratory.