mirror of https://github.com/QMCPACK/qmcpack.git
32 lines
1.6 KiB
Plaintext
32 lines
1.6 KiB
Plaintext
DMC energy and its errorbar
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$energy.pl ref.s001.dmc.dat 200
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LocalEnergy = -204.9465 +/- 0.0029 <<<<
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Variance = 7.655 +/- 0.012
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Weight = 8205 +/- 34
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NumOfWalkers = 8205 +/- 34
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AvgSentWalkers = 0.5874 +/- 0.0014
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TrialEnergy = -204.9473 +/- 0.0028
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DiffEff = 0.9846312 +/- 0.0000046
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LivingFraction = 0.981704 +/- 0.000037
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Time to solution: total run time
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$grep Execution qmc.log
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QMC Execution time = 10.5598759 secs
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QMC Execution time = 1669.281859 secs
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Total Execution time = 1679.848396 secs <<<<
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Efficiency:
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$energy.pl ref.s001.scalar.dat 20
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LocalEnergy = -204.9462 +/- 0.0040
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Variance = 7.7 +/- 1.6
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LocalPotential = -360.919 +/- 0.028
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Kinetic = 155.972 +/- 0.028
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ElecElec = -6.901 +/- 0.017
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IonIon = -152.339333 +/- 0.000014
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LocalECP = -224.434 +/- 0.042
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NonLocalECP = 22.7555 +/- 0.0095
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BlockWeight = 82051 +/- 73
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BlockCPU = 8.299 +/- 0.024
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AcceptRatio = 0.9910852 +/- 0.0000023
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Efficiency = 9887.086 +/- 0.000 <<<<
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