- Authenticate user
- Select Machine Pool
- 40 Quadcore 2.4 GHz/4 Gbyte 64-bit Linux machines running overnite
- 2 Octocore 2.8 GHz/4 Gbyte 64-bit Linux machines running 24/7
- Select Application:
- Gaussian03
- Amber 10
- Orca 2.6
- Create/Select Project
- Upload input file (e.g. a .gjf for Gaussian)
- Provide (metadata) Description of job
- Monitor status of Job (0 - 72 hour execution time)
- Collect outputs (or inputs)
- Logfile, .fchk, .cml, .wfn
- If satisfied with calculation, publish result and obtain Identifier (DOI-like)
© H. S. Rzepa