mirror of https://github.com/QMCPACK/qmcpack.git
Added TotalTime to qmca
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6330 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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@ -1652,7 +1652,7 @@ class QBase(DevBase):
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mpc = 'MPC', kc = 'KEcorr', bw = 'BlockWeight',
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bc = 'BlockCPU', ar = 'AcceptRatio', eff = 'Efficiency',
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te = 'TrialEnergy', de = 'DiffEff', w = 'Weight',
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nw = 'NumOfWalkers', sw = 'AvgSentWalkers',
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nw = 'NumOfWalkers', sw = 'AvgSentWalkers', tt = 'TotalTime',
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)
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def log(self,*texts,**kwargs):
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@ -1676,9 +1676,9 @@ class QBase(DevBase):
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class DatAnalyzer(QBase):
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first = 'LocalEnergy Variance Kinetic LocalPotential ElecElec LocalECP NonLocalECP IonIon'.split()
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last = 'MPC KEcorr BlockWeight BlockCPU AcceptRatio Efficiency TrialEnergy DiffEff Weight NumOfWalkers LivingFraction AvgSentWalkers CorrectedEnergy'.split()
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last = 'MPC KEcorr BlockWeight BlockCPU AcceptRatio Efficiency TotalTime TrialEnergy DiffEff Weight NumOfWalkers LivingFraction AvgSentWalkers CorrectedEnergy'.split()
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nonenergy = set('BlockWeight BlockCPU AcceptRatio Efficiency DiffEff Weight NumOfWalkers LivingFraction AvgSentWalkers'.split())
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nonenergy = set('BlockWeight BlockCPU AcceptRatio Efficiency TotalTime DiffEff Weight NumOfWalkers LivingFraction AvgSentWalkers'.split())
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energy_sq = set(['Variance','LocalEnergy_sq'])
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@ -1816,6 +1816,7 @@ class DatAnalyzer(QBase):
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t = stats.BlockCPU.mean
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wt = (data.BlockCPU*data.BlockWeight).sum()/3600
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#tt = data.BlockCPU.sum()/3600
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tt = data.BlockCPU.sum()
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# def. of efficiency in energy.pl
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#stats.Efficiency = obj(mean=w/t,var=0.0,error=0.0,kappa=1.0)
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@ -1824,6 +1825,10 @@ class DatAnalyzer(QBase):
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stats.Efficiency = obj(mean=1.0/(e**2*wt),var=0.0,error=0.0,kappa=1.0)
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data.Efficiency = 0*data.LocalEnergy
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# total time
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stats.TotalTime = obj(mean=tt,var=0.0,error=0.0,kappa=1.0)
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data.TotalTime = 0*data.LocalEnergy
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#end if
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#end def analyze
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