mirror of https://github.com/QMCPACK/qmcpack.git
33 lines
1.5 KiB
Plaintext
33 lines
1.5 KiB
Plaintext
DMC energy and its errorbar
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$energy.pl ref.s001.dmc.dat 200
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LocalEnergy = -122.0781 +/- 0.0015
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Variance = 7.9505 +/- 0.0087
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Weight = 8186 +/- 25
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NumOfWalkers = 8186 +/- 25
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AvgSentWalkers = 0.40548 +/- 0.00054
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TrialEnergy = -122.0795 +/- 0.0031
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DiffEff = 0.9951233 +/- 0.0000012
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LivingFraction = 0.990206 +/- 0.000016
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Time to solution: total run time
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$grep Execution qmc.log
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QMC Execution time = 18.28826291 secs
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QMC Execution time = 4661.91432 secs
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Total Execution time = 4680.210571 secs
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Efficiency:
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$energy.pl ref.s001.scalar.dat 20
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LocalEnergy = -122.0780 +/- 0.0020
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Variance = 7.94 +/- 0.49
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LocalPotential = -344.294 +/- 0.017
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Kinetic = 222.216 +/- 0.016
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ElecElec = -118.5973 +/- 0.0084
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IonElec = -37.168 +/- 0.016
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IonIon = -188.5283757 +/- 0.0000013
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BlockWeight = 408455 +/- 614
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BlockCPU = 46.28 +/- 0.17
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AcceptRatio = 0.99706046 +/- 0.00000074
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Efficiency = 8825.231 +/- 0.000
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