Equipment
We currently sit on the 7th and 10th Floor of Engineering Science Building on the WVU Evansdale Campus.
The lab has access to the following HPC systems at WVU:
- Spruce Knob - 3,376 core cluster spread over 176 nodes using a shared FDR Infiniband Network
- Thorny Flat - 4,208 core cluster spread over 108 nodes using a shared Intel Omnipath 100Gbps Interconnect
- Dolly Sod - GPU Cluster with 37 nodes. The system has 155 NVIDIA GPU cards. They are distributed as 120 NVIDIA A30, 19 NVIDIA A40, and 16 NVIDIA A100.
The lab also has access to the following External HPC systems:
- NETL Joule - 74,200 core cluster using a shared Intel Omnipath 100Gbps Interconnect
- NSF Funded Access Network of HPC Clusters
The research group has the following solvers.
- COMSOL Multiphysics
- RF Module, Heat Transfer Module, Structural Mechanics Module, Wave Optics Module, Optimization Module, SolidWorks LiveLink, Semiconductor Module, CFD Module, Subsurface Flow Module, Chemical Reaction Engineering Module, Plasma Module, AC/DC Module.
- 3DS BIOVIA Materials Studio and Pipeline Pilot
- Quantum Tools: CANTERA, CASTEP, DMOL3, DFTB+, FlexTS, KINETIC, NMR CASTEP, ONETEP, QMERA, VAMP.
- Classical Tools: Adsoprtion Locator, Amorphous Cell, Blends, Conformers, COMPASS, Forcite, GULP, Sorption.
- Mesoscale Tools: MesoDyn, Mesocite, PhaseField.
- Statistical Tools: QSAR, Synthia.
- Analytical & Crystalization Tools: Morphology, Polymorph Predictor, Motif, Reflex, X-Cell
- ANSYS Multiphysics
- Mechanical Solver, Fluent Fluid Solver, Discovery.