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

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