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Compute the partition function Z and the Gibbs free energy \Omega of the expansion (relative to the atomic system) before normalizing.
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Rethink parallelization strategy in order to handle high order expansions
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Our current approach is to pre generate all non-zero configurations storing a copy of all of them on every mpi node.
For a two fermion problem we currently run out of memory at order 8.
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The parallell calculation is solely over the quasi Monte Carlo evaluations which is done by all mpi ranks in tandem for each and every diagram+configration.
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To get to order 8 and beyond, consider designing a distributed generation of configurations with separate quasi Monte Carlo evaluation of subset of diagrams?
The distribution of configurations could still be done order-by-order inorder to avoid dealing with load re-distribution.
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Direction coefficients calculated in
qmc_*_integral_*()are ambiguous at the branch boundaries. This is going to become a problem once we generalize the solver to the full Keldysh contour. -
The name of
QInchworm.utility.ph_conj()is appropriate for the imaginary time GFs, but shouldn't we change it to describe the time argument swapping of a general GF on a contour. That would make more sense as part of the full-contour generalization of the solver. -
An idea for
TopologyEvaloptimization: Consider two node trees growing towards each other, rooted at the leftmost/rightmost node+subspace and meeting in the middle of a configuration.