Submitting Batch Jobs
The are the commands for ASE/python mode and the "native" (no ASE/python) mode:
| Code Block |
|---|
esp-ver-bsub <version> myscript.py
esp-ver-bsub-native <version> -q suncat-test -o my.log -n 8 pw.x -in pw.inp
|
NOTE: there is currently a problem in the espresso ASE support. If you do multiple calculations in one script you must call calc.stop() after each completes.
...