Solve interface 3 #248
Solve interface 3 #248
Conversation
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64 |
Pull Request Test Coverage Report for Build 9157757947Details
💛 - Coveralls |
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
Benchmark resultJudge resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsA ratio greater than
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoTargetBaselineTarget resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoBaseline resultBenchmark Report for /home/runner/work/Rimu.jl/Rimu.jlJob Properties
ResultsBelow is a table of this job's results, obtained by running the benchmarks.
Benchmark Group ListHere's a list of all the benchmark groups executed by this job:
Julia versioninfoRuntime information
Architecture: x86_64
|
… from ReplicaState
| [`solve`](@ref solve(::ExactDiagonalizationProblem)). | ||
|
|
||
| # Keyword arguments | ||
| - `algorithm=LinearAlgebraSolver()`: The algorithm to use for solving the problem. The |
There was a problem hiding this comment.
Looks like I found a bug. It seems like setting the algorithm in the problem selects the correct solver, but attempts to pass the algorithm on to the solver. This errors for KrylovKit and Arpack, but gives a warning with LinearAlgebra.
MWE:
using Rimu
using KrylovKit
H = HubbardReal1D(BoseFS(1,1,1,1))
prob = ExactDiagonalizationProblem(H; algorithm=KrylovKitSolver())
solve(prob)
# ERROR: MethodError: no method matching eigselector(::KrylovKitExt.OperatorMultiplier{HubbardReal1D{Float64, BoseFS{4, 4, BitString{7, 1, UInt8}}, 1.0, 1.0}, PDWorkingMemory{BoseFS{4, 4, BitString{7, 1, UInt8}}, Float64, Rimu.DictVectors.NonInitiatorValue{Float64}, IsDeterministic{Float64, NoCompression}, NonInitiator, Rimu.DictVectors.NotDistributed, 1}}, ::Type{Any}; ishermitian::Bool, issymmetric::Bool, algorithm::KrylovKitSolver{true})
There was a problem hiding this comment.
Thanks for the bug report. It is now fixed.
* rename df.steps to df.step * rename :dτ to :time_step in report/DataFrame * rename update_dτ to update_time_step * rename :targetwalkers to :target_walkers * update G2-example.jl * fix benchmarks * skip reporting time step if constant * fix skip reporting time step * doc page on Projector Monte Carlo * removing lomc! references from docstrings * Apply suggestions from code review Co-authored-by: mtsch <matijacufar@gmail.com> * Apply suggestions from code review Co-authored-by: christofbradly <christof.bradly@gmail.com> * deprecate instead of remove `targetwalkers` --------- Co-authored-by: Joachim Brand <joachim.brand@gmail.com> Co-authored-by: mtsch <matijacufar@gmail.com> Co-authored-by: christofbradly <christof.bradly@gmail.com>
Implement the Solve interface defined by
CommonSolve.jlOverview
ProjectorMonteCarloProblem, followed bysolve. This replaces thelomc!function, which is now deprecated. Most of the same options are available, but names for the keyword arguments ofProjectorMonteCarloProblemare different from those oflomc!(e.g.replica_strategyinstead ofreplica,last_stepinstead oflaststep.ExactDiagonalizationProblem, followed bysolve.changes to the code
ReplicaState(formerlyQMCState) storesstepasRef, access magic is removedSimulationPlanis stored, containinglast_step(previouslylaststep) and a maximum walltime for future useparams::FCIQMCRunStrategyis removed internally, may still be passed intolomc!SingleState(formerlyReplicaState) storess_strat,τ_strat, andshift_parametersDefaultShiftParametersstoresshift,shift_mode,norm, andtime_stepas default forshift_parametersshiftModeis removed as a standard part of thereport; instead theShiftStrategys that need it report it asshift_modepost_step()function topost_step_action()update_shift()byupdate_shift_parameters()ProjectorMonteCarloProblemcontains information that defines the problem and parameters of a simulation; stores random number seedPMCSimulationstores problem, state, and report, as well as flagsinit()constructs aPMCSimulationand seeds the RNG (in mpi-consistent way)step!()progressesPMCSimulationfor one time step onlysolve!()runsPMCSimulationaccording to theSimulationPlansolve!()can be used to continue simulations with newlast_steporwalltimelimitlomc!()now callsProjectorMonteCarloProblemandsolve!.Reportnow carriesis_finalizedflag; finalizing returnsreportand no longer converts intoDataFramereport_metadata!is allowed to overwrite metadata entriesPMCSimulationis written as metadata into the report at the end of a simulation; this will not propagate to Arrow files fromReportToFile, as metadata for Arrow files has to be written at the beginning.Breaking changes
TripleLogUpdatelomc!does not acceptAbstractMatrixas argumentstyle=IsDynamicSemistochastic()fordefault_starting_vectorThe vision: New type hierarchy
The idea is to divide data up into parts that are relevant globally and those that are locally relevant. The aim is to avoid duplication and only have one place where relevant information is stored (except maybe for replicas, where the Hamiltonian may be duplicated).
ProjectorMonteCarloProblem, aProblemTypeas input forinit; minimal memory allocation, typically immutablesupport for replicas in
ProjectorMonteCarloProblemSupport for excited states with a
SpectralStrategySupport for simultaneous simulations with different Hamiltonians, e.g. with
SimultaneousPMCProblemwrapping severalProjectorMonteCarloProblems.PMCSimulation, combinedSolverTypeoutput ofinit,solve,solve!andstep!, to be used as input forsolveandstep!state::ReplicaState, contains individual statesreport::Report, will be empty after initialisation and populated consistent with thesolution_planafter a successfulsolve!ReplicaState; contains global state variables that are mutated (replacesQMCState)spectral_states: collection ofSpectralStates (replacesreplicas).simulation_plan, contains time span or number of steps as well as information currently inTimeStepStrategy.stepreporting_strategy,post_step_strategy,replica_strategySpectralState: contains a collectionsingle_statesofSingleStates to represent the ground and excited states, as well as aSpectralStrategy.SingleState, may be a replica, an excited state, a co-evolved state with different/separate Hamiltonian (replacesReplicaState).hamiltonianvectorprevious_vectorworking_memoryshift,pnorms_stratFunctions
init(::QMCProblem; kwargs...)::QMCSimulation: Initalise the simulation. kwargs can specify time span/steps and strategies.step!(::QMCSimulation; kwargs...)::QMCSimulation: Progress the simulation by a single time step.solve!(::QMCSimulation; kwargs...)::QMCSimulation: Progress the simulation until the end.QMCSimulationto disk and restore it from disk.advance!(::IndividualState)Progress an individual state (as currently).Inspection and analysis
We need to provide functions for extracting information from a
QMCSimulation, e.g.DataFrame(::QMCSimulation)to return the report as aDataFrame, for inspecting state vectors, etc.Obsolete and deprecated
FciqmcRunStrategy,RunTillLastStep,TimeStepStrategyQMCStateReplicaStatelomc!