EPSRC UK National Service for Computational Chemistry Software
Help
Before contacting the support staff, you should check in the following places to see if your question has previously been answered.
The NSCCS User Guide provides users with the information they will need to access and use the computing resources provided by the NSCCS. Users are advised to read the user guide prior to accessing the machine and running jobs.
- All steps/operations/instructions necessary to re-create or reproduce the problem;
- The exact text (or a screenshot) of any error messages;
- The version numbers and names of all software involved in the issue;
- The input/output files and the submit script of your calculation;
- The name of the queue the job was submitted to along with the requested queue parameters, i.e. number of processors, the amount of memory, etc.
All hardware and software related queries should be sent to Columbus Support (email columbus@hpc-support.rl.ac.uk).
Training
All queries relating to software training, please contact Dr Alexandra Simperler (email a.simperler@imperial.ac.uk).
Other Queries
For all other service queries please contact NSCCS Support (email support@nsccs.ac.uk).
Further Information
More information on how to use some of the software packages can be found on the NSCCS website under Software Introduction.