Hi all,

For my research it would be helpful to install the CSD Python API on the computer cluster which my group uses to run simulations. All the machines in my university are licensed for use the CSD tools, so this should not be a major issue.

Nevertheless, is it technically possible to install the CSD Python libraries on a computer cluster? And, if possible, would the installation process be the same as the normal one on a PC? I guess there should be a way to make the cluster point towards the license.

Thanks in advance for the help!

Luca

Hi Luca,

 

Yes this should be entirely possible and the method is indeed similar to a standard PC install. The main difference is that you'll want to install to a location that is accessible by each node in the cluster (clusters usually have disk space that is accessible by all nodes). The easiest way to install the CSD Python API is to install the CSD System sofware on to the cluster - this installs the CSDS software, CSDS data and also the CSD Python API with its own miniconda distribution and the CSD Python API pre-installed and ready for use.

You can also perform a more 'advanced' install into your own Python distribution using the pip or conda packages we supply. This will need at least a data CSDS install via the above mentioned installer in order to use the API. See https://www.ccdc.cam.ac.uk/forum/csd_python_api/General/6a879cb7-a497-e611-bb54-005056975d8a for more details.

 

For your cluster the main issue you will likely encounter is licensing - each computer node of the cluster will need to be registered, as CSD licensing is based on node-locked registration. We do have a batch registration tool that should help you to automate this registration - see https://www.ccdc.cam.ac.uk/support-and-resources/support/case/?caseid=c9c53a6b-e7e6-e611-8591-005056868fc8

Regards,

 

Dave

 

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