Submitting Batch Jobs
dacapo-bsub myscript.py
Avoiding Saving of Wavefunctions
(courtesy of Johannes Voss)
for x in ('PrintWaveFunction','PrintChargeDensity','PrintTotalStress','PrintEffPotential','PrintElsPotential'): calc.SetNetCDFEntry("NetCDFOutputControl",att = x,value="No")
Versions
Version |
Date |
Comment |
dacapov1 |
9/18/10 |
first attempt at dacapo installation |
(d/j)acapov2 |
11/2/10 |
change ifort v9 to ifort v11.1, use MKL. jacapo uses ASE from svn head for bug fixes |
dacapov3 |
6/1/12 |
softlink to dacapov2 but modify dacapo.run to use pam to fix accounting |