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                                            Hatem Helal

nanoDFT fails with OOM with IPU backend

The [nanoDFT notebook](https://github.com/graphcore-research/pyscf-ipu/blob/main/notebooks/nanoDFT-demo.ipynb) already implements the suggested workaround ``` opts, _ = nanoDFT_options(backend="ipu", float32=True, basis="sto-3g") ```

nanoDFT fails with OOM with IPU backend

Fixed the default in `nanoDFT` in 90dc61c > Did anyone reproduce bug for [density_functional_theory.py](https://github.com/graphcore-research/pyscf-ipu/blob/main/density_functional_theory.py) ? Haven't tried this yet.

nanoDFT fails with OOM with IPU backend

Documentation is spread over quite a few resources. The notebooks both use the executable cache from the env var: ``` # JAX/XLA IPU compilation cache. os.environ['TF_POPLAR_FLAGS'] = """ --executable_cache_path=/tmp/ipu-ef-cache """...