ORCA 4.1.2 has been installed on Owens and Pitzer clusters. Two major issues are fixed:
- Calculations running on multiple nodes using a shared filesystem (GPFS, Lustre)
- Construction of the DLPNO MP2 gradient when run across multiple nodes
The Job Viewer Tab displays information about individual HPC jobs and includes a search interface that allows jobs to be selected based on a wide range of filters:
1. Click on the Job Viewer tab near the top of the page.
2. Click Search in the top left-hand corner of the page