B200 GPU Support - #1032
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Added autotuned parameter file for NVIDIA B200 Blackwell GPU/
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@lclemens05 thanks for your contribution! |
Added B200 to CmakeLists.txt
DCM-Uni-Paderborn
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Thanks for adding the tuned B200 parameter set. I tested the current PR head on an NVIDIA B200 node with CUDA 12.8 while preparing a CUDA-enabled CP2K/Skala build.
Two CMake changes are still needed:
- Please add
set(GPU_ARCH_NUMBER_B200 100). With the current head, configuration printsso theGPU target architecture: B200 Kernel parameters: B200 GPU architecture number:CUDA_ARCHITECTUREStarget property remains empty. - Please keep the existing
P100default and its help text. Selecting B200 should be explicit; changing the global default would alter existing builds unexpectedly.
It would also be useful to add "parameters_B200.json": "sm_100" to the gpu_architectures mapping in src/acc/libsmm_acc/kernels/smm_acc.py so the tooling recognizes the new parameter file consistently.
For comparison, a local DBCSR build with B200 -> 100 completed successfully and was linked into CP2K. Native-grid Skala smoke tests then passed on one and four B200 GPUs, including deterministic rank-to-device mapping 0:0 1:1 2:2 3:3 and CPU/GPU agreement for energy, forces, and stress.
One independent CUDA 12.8 issue remains: cuFuncSetSharedMemConfig is deprecated and DBCSR promotes that warning to an error. I suggest handling that separately rather than suppressing all deprecation diagnostics in this architecture PR.
Autotuned parameter file for NVIDIA B200 Blackwell GPU
parameters_B200.json