Submitting Batch Jobs
| Code Block |
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dacapo-bsub myscript.py |
Avoiding Saving of Wavefunctions
(courtesy of Johannes Voss)
| Code Block |
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for x in ('PrintWaveFunction','PrintChargeDensity','PrintTotalStress','PrintEffPotential','PrintElsPotential'):
calc.SetNetCDFEntry("NetCDFOutputControl",att = x,value="No")
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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 |