This is a model that can comfortably run the non-empirical quantum molecular dynamics calculation software 'VASP' developed at the University of Vienna, Austria!
Here, we introduce recommended models of CPU computing specifications that prioritize price. While "VASP" also supports GPGPU, the official website recommends using GPUs with high double-precision (fp64) performance. The H100 is a representative GPU, but its high cost as a standalone unit, the need for a dedicated GPGPU enclosure, and the requirements for cooling and noise control often lead to limitations in installation locations. Therefore, we have selected more affordable models to make it relatively easier for you to adopt.
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<Type-A> CERVO Grasta WST-W52445S3Q960TNVM Xeon W5-2445 128GB memory 960GB SSD NVIDIA T400-4GB Ubuntu 22.04 LTS 1,500W power supply 80Plus Platinum certified <Type-B> CERVO Grasta WST-W72475XS3Q192TTNVM Xeon W7-2475 256GB memory 960GB SSD NVIDIA T400-4GB Ubuntu 22.04 LTS 1,500W power supply 80Plus Platinum certified
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P5
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Computational Chemistry Software 'VASP' for Dynamics
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