JP

I have another few hundred examples of molecules which fail (could they all be failing in the same way?). I am attaching the SMILES file. You need to change the...

Do you think there is a case to be made for accessing all descriptors from one place (say Descriptors?). Or at least point out that, unlike the other Descriptors listed...

Did you manage this please (if so, how?) ? I am in the same waters.

I had the same issue. Adding these two lines under vars moved me to the next problem (which I am stuck at) ``` slurm_config: AccountingStorageType: "accounting_storage/slurmdbd" ```

I am giving up on this. I get the error, and have been trying to fix this for days now ``` TASK [ansible-slurm : Create the slurmdbd cluster] ************************************************************************************************************************* fatal:...