Dr Owain Kenway

(OOD notes - you can of course SSH to the node your desktop is on)

If I try to X forward to my Mac I get: [libGL error: failed to load driver: swrast](https://stackoverflow.com/questions/40092796/libgl-error-failed-to-load-driver-swrast-running-ubuntu-docker-container-on)

I managed to compile serial and OpenMP stuff, and I managed to compile and run an mpi binary on one core but it's not clear what the equivalent of mpirun...

I keep looking at that script and laughing in horror.

My notes looking at the script: ``` conda install -c conda-forge python=3.7 cudnn==8.2.1.32 cudatoolkit==11.1.1 openmm==7.5.1 pdbfixer -y ``` Nvidia parts on pypi are: ``` nvidia-cublas-cu11 nvidia-cuda-nvrtc-cu11 nvidia-cuda-runtime-cu11 nvidia-cudnn-cu11 ``` OpenMMP/PDBfixer...

`pdbfixer` looks easy to turn into a wheel, openmm not so much - it explicitly does not support that.

The other conda things are explicitly not suitable for pip. So we probably want to build them. Some of the requirements in there explicitly require Cuda 11 which we don't...

I think a problem here is going to be driver versions - looks like Young is on 460.32.02. We need to get at least 470.82.01

Related Jira issue https://ucldata.atlassian.net/browse/ARI-254

``` ./configure: line 5879: syntax error near unexpected token `PARQUET,' ./configure: line 5879: ` PKG_CHECK_MODULES_STATIC(PARQUET, arrow parquet,' ``` We're getting this on RHEL 7 *with* `pkg-config` installed so this is...