I do atomic simulation of proteins.
I am preparing to purchase a Lenovo laptop.
The available GPU options are: the GeForce RTX 4070 and Quadro RTX 5000.
Which one would be better for my purpose and why?
Due to the number of variables involved, perhaps the best option would be to prepare a portable boot drive, containing the OS, Cuda toolkit and protein software and use it to test drive both choices.
Is that a Quadro RTX 5000 or a Quadro RTX 5000 Mobile?
To avoid disappointments when purchasing expensive equipment, it it highly advisable to benchmark both GPUs with your software: Try before you buy.
If that approach is not feasible, you would have to compare technical specifications, in particular computational throughput, memory throughput, and memory size. The data at the TechPowerUp database1 suggests that both GPUs feature the same amount of GPU memory (16 GB), but that the GeForce RTX 4080 offers significantly higher computational and memory throughput than the Quadro RTX 5000. This should result in superior performance for simulations with the GeForce RTX 4080.
Both GPUs are power hogs (Quadro RTX 5000 at a nominal 230W, Geforce RTX 4080 at a nominal 320W), which would highly concern me in a laptop configuration. I have a hard time believing that this much power can be dissipated effectively in a laptop. High GPU operating temperatures may result which in turn could lead to thermal throttling2 of the GPU and thus loss of performance. Have you looked into that aspect, maybe talked to a friend or colleague who runs a laptop with this or a similar configuration? Maybe the GPUs being used are mobile variants of the desktop GPUs I looked at, with reduced power draw and reduced performance? Further study on your part seems warranted.
1 My understanding is that the TechPowerUp database is a volunteer effort like Wikipedia. Errors in the specifications data are possible, but in general I have found the information there to be accurate. Proceed at your own risk.
2 Throttling means forced lowering of GPU clocks so it draws less power. This reduces heat dissipation and allows the GPU to cool down.
“Quadro RTX 5000”
If it is in a laptop, it is the mobile variant.
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