...
You can select a particular version of gpaw to run (documented hereon the appropriate calculators page):
Code Block |
---|
gpaw-ver-bsub 19 -o mo2n.log -q suncat-long -n 8 mo2n.py |
...
...
You can select a particular version of gpaw to run (documented hereon the appropriate calculators page):
Code Block |
---|
gpaw-ver-bsub 19 -o mo2n.log -q suncat-long -n 8 mo2n.py |
...