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Results tagged with graphical-processing-unit
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user 403
For questions about GPUs (graphical processing units) in the context of designing and performing material simulations.
5
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Running Quantum ESPRESSO on a GPU in Windows
I'm not a Quantum Espresso expert, but I'll try to answer this as best I can. There are two aspects to this answer: 1) whether you have a GPU-enabled version of Quantum Espresso; and 2) whether you sh …
- 8,567
12
votes
I am considering to purchase a GPU. What calculations would need FP32, and what would need F...
First principles simulations
When simulating chemicals or materials with quantum mechanical methods, it is common to require at least FP64 precision in order to get reliable results. One reason for th …
- 8,567