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cluster:181 [2019/08/07 14:30] hmeij07 [2019 GPU Models] |
cluster:181 [2019/08/08 13:25] hmeij07 [2019 GPU Models] |
* [[https://docs.nvidia.com/deeplearning/sdk/mixed-precision-training/index.html#framework|Training Guide for Mixed Precision]] | * [[https://docs.nvidia.com/deeplearning/sdk/mixed-precision-training/index.html#framework|Training Guide for Mixed Precision]] |
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From Lammps developer: "Computing forces in all single precision is a significant approximation and mostly works ok in homogeneous system, where there is a lot of error cancellation. | From Lammps developer: "Computing forces in all single precision is a significant approximation and mostly works ok in homogeneous system, where there is a lot of error cancellation. Using half precision in any form for force computations is not advisable." |
Using half precision in any form for force computations is not advisable." | |
| From Gromacs web site: "GROMACS simulations are normally run in “mixed” floating-point precision, which is suited for the use of single precision in FFTW. The default FFTW package is normally in double precision." |
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**Keep track of these** | **Keep track of these** |
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- does Amber run on the T4, the web site lists "Turing (SM_75) based cards require CUDA 9.2 or later." but does not list the T4 (too new?). | - does Amber run on the T4, the web site lists "Turing (SM_75) based cards require CUDA 9.2 or later." but does not list the T4 (too new?). |
- Gaussian g16c01 AVX enabled linux binaries - no linda "Platforms marked with † include GPU support for NVIDIA K40, K80, //P100, and V100// boards with 12 GB of memory or higher. A version of NVIDIA drivers compatible with CUDA 8.0 or higher. We run CUDA 9.2, so ok, but OS platform 6.10 or 7.6 required? We're at 6.5 (n38-n45) or 7.5.10 (n33-n37, n78). | - Gaussian g16c01 AVX enabled linux binaries - no linda "Platforms marked with † include GPU support for NVIDIA K40, K80, //P100, and V100// boards with 12 GB of memory or higher. A version of NVIDIA drivers compatible with CUDA 8.0 or higher. We run CUDA 9.2, so ok, but OS platform 6.10 or 7.6 required? We're at 6.5 (n38-n45) or 7.5.10 (n33-n37, n78). |
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