It has relativistic methods (ZORA and spin-orbit coupling) to treat heavy nuclei.īond energy decomposition, fragment orbitals and charge decomposition options Is a DFT program which can be applied to isolated molecules, polymers, slabs, solids, etc. The notes below refer to software as available on 1) MGCF workstations If that is not enough information, then try the These shortcut commands are specified in the individual softwareĭescriptions below. There are shortcut commands for many common programs to automate Tiger is managed by a queueing system and is not for interactive use. There is also a GPU node with 8 Nvida Tesla cards (= 30400 gpu core). The total is 2664 available cpu cores averaging 8GB RAM per core. There are an additional 30 nodes each with 12 core and 48GB RAM per node. The computing cluster is called Tiger and hasģ6 cpu nodes.
These all share the same software with a few rare exceptions. Gravel, betty, wilma, stone, bambam, slate, lava, bronto, bobcat, lynx and the Kavli funded machines: energy and nano. The workstations in 175 Tan Hall are named:
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