#Rtx 3080 fp64 64 Bit
So in that sense the GPU itself has no awareness of OpenACC, which is why you will not find it mentioned with the card specifications.Īs to which cards are suitable (or best suited) to run VASP: the statement that VASP.6 will run on any NVIDIA GPU is correct, but the performance depends strongly on the "fp64" capability of the GPU ("double precision" or 64 bit floating point performance).
Upon compilation you then specify for which "compute capability" (e.g., cc70, cc80) you want to compile the code. In practice this boils down to the current NVIDIA HPC-SDK (and some of the previous PGI compilers). So essentially any compiler that is OpenACC >= 2.6 compliant should be able to compile the OpenACC version of VASP. In VASP we use features of OpenACC that are part of the OpenACC standard 2.6 (and beyond). OpenACC is an extension (compiler directives) to for instance Fortran. Cards with chips based on the Ampere microarchitecture need "compute capability" version 8.0, meaning CUDA 11. This is a mistake: the card needs "compute capability" version 7.5 (see ) which actually means CUDA >= 10. It states that this card needs "CUDA" version 7.5.
Will two 24 GB Titan cards per workstation have enough RAM for models that use about 64 GB on non-GPU VASP? These workstations will also have at least 128 GB normal RAM - does GPU-ported VASP use video RAM in conjunction with normal RAM to off-load the demands on the graphics memory? Does the normal CPU have any impact? Again, I have no clue about how GPU computations work or what kind of demands they put on the system as a whole.įor instance, the information on the website you have consulted for information about the Titan RTX is not completely correct: rt_of_VASP list only "professional/Datacenter" cards, but at our department the group that does AI chose the hardware, since they are the ones that actually know all this stuff about hardware, and I guess the choice was to buy several "normal" graphics cards per workstation rather than one really expensive one like the V100.
rformance/) they say "Scientists can run VASP 6 on any NVIDIA GPU". Like, what versions are supported by what cards, or if they all support all versions. Also, I cannot find any info about OpenACC. The Titan RTX is of Turing architecture, which seems to be the consumer architecture of the same generation as Volta, so from 2018-2019, and uses CUDA 7.5. įor example, I don't understand how VASP can require CUDA 10 -compatible libraries when even the most current NVIDIA architecture (Ampere, at least the one for consumer cards like RTX 3000 series) use CUDA 8, unless they support everything from CUDA 8 and upwards. Is this card compatible with the VASP OpenACC port requirements? I see some conflicting data around the web and don't understand all the different coding libraries and standards that are in use in the world of GPUs.
#Rtx 3080 fp64 license
I am trying to check if it will work with VASP 6 (we recently bought the license but have not installed it anywhere yet - I'm still using 5.4.4 for "normal/non-GPU" computations). The choice so far has landed on NVIDIA Titan RTX with 24 GB GDDR6 RAM. At my department, we are currently trying to build a small GPU cluster that will fill the needs of the different groups that do computations.