Fragment molecular orbital method WS example for calculation (budget 300 million)

■ This is an article posted on June 2019, 12, so the content of the information may be out of date.

The customer asked us to introduce a workstation equipped with TITAN RTX that can execute FMO calculation as smoothly as possible.

Calculations using the FMO method (fragment molecular orbital method) are generally suitable for parallel processing, so we propose a configuration with 2 CPUs (18-core Xeon Gold 6254 x 2) and NVIDIA TITAN RTX. I was allowed to.

When contacting us, we may be able to suggest a more optimal configuration by contacting us with the details of your environment. Please feel free to contact us.

【Main Specifications】

CPU Xeon Gold 6254 (3.10GHz 18 cores) x 2 (total 36 cores)
memory 192GB (16GB x 12) ECC REG
storage System: SSD 2TB (M.2)
Data: HDD 8TB (S-ATA)
network GigabitLAN x2
Housing + power supply Tower enclosure (width 178 x height 452 x depth 647 mm) + 1200W
OS CentOS8 64bit
Other "Safety +" 3-year warranty