High-Performance Computing

We are extensive users of numerous HPC clusters.

Computers:

• Two (2) Dell Precision 7875 Tower Workstations: dual NVIDIA® RTX™ A6000ada GPU cards (48 GB GDDR6, 4 DP), AMD Ryzen Threadripper PRO 7995WX (96 cores, 192 threads, 2.5 GHz to 5.1 GHz), 2 TB SSD + 8 TB SATA storage, 256 GB memory (DDR5, 4800 MHz, RDIMM ECC). 

• Six (6) Dell Precision 5860 Tower Workstations: NVIDIA® RTX™ A4000ada GPU (20 GB GDDR6), Intel® Xeon W7-2475X (20 cores, 40 threads, 2.6 GHz), 2TB SSD storage, 32 GB memory (DDR5, 4800 MHz, RDIMM ECC).

• Four (4) Dell Precision 5820 Tower Workstations: NVIDIA® RTX™ A4500 GPU (20 GB GDDR6), Intel® Xeon® W-2295 (18 cores, 36 threads, 3.00 GHz), 2TB SSD storage, 32 GB memory (DDR4, 2933 MHz, ECC)

• Three (3) Dell OptiPlex 7410 All-in-one Computers: 13th Gen Intel® Core™ i5-13600 (6+8 Cores/24MB/20T/2.7GHz), 1TB SSD storage, 16 GB memory (DDR5) 

• One (1) Dell Precision 3260 Compact computer: Intel Core i9-12900 processor (16 Core, 2.4GHz), Nvidia T1000 GPU (8GB), 2TB SSD storage, 16 GB memory (DDR5)

Software:

• Molecular dynamics: Gromacs, NAMD, AMBER, OpenMM, ...

• Quantum mechanics: Gaussian

• Data analyses: Gromacs, MDAnalysis, VMD, xmgrace, ...

• Visualization: VMD, Pymol, ...

Programing Language: 

• C, Python, Bash, ...