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optimize overlap structure
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@lgresista
lgresista committed Oct 31, 2023
1 parent 98f8c90 commit 1a7d32e
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110 changes: 51 additions & 59 deletions src/Flow/flow_lib/flow_su2_hkg/flow_su2_hkg_t.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -647,148 +647,140 @@ function compute_t_kat!(
)

# determine overlap for site i
overlap_i = overlap[i]
sites, components, signs, mult = overlap[i]
# determine range for inner sum
Range = size(overlap_i, 1)
Range = length(mult)

#compute inner sum
@inbounds @fastmath for j in 1 : Range

# read cached values for inner site, respecting mappings
signs_1 = overlap_i[j][1].signs
components_1 = overlap_i[j][1].components
site_1 = overlap_i[j][1].site

v1xx = signs_1[1] * temp[site_1, components_1[1], 1]
v1yy = signs_1[2] * temp[site_1, components_1[2], 1]
v1zz = signs_1[3] * temp[site_1, components_1[3], 1]
v1xy = signs_1[4] * temp[site_1, components_1[4], 1]
v1xz = signs_1[5] * temp[site_1, components_1[5], 1]
v1yz = signs_1[6] * temp[site_1, components_1[6], 1]
v1yx = signs_1[7] * temp[site_1, components_1[7], 1]
v1zx = signs_1[8] * temp[site_1, components_1[8], 1]
v1zy = signs_1[9] * temp[site_1, components_1[9], 1]
v1dd = signs_1[10] * temp[site_1, components_1[10], 1]
v1xd = signs_1[11] * temp[site_1, components_1[11], 1]
v1yd = signs_1[12] * temp[site_1, components_1[12], 1]
v1zd = signs_1[13] * temp[site_1, components_1[13], 1]
v1dx = signs_1[14] * temp[site_1, components_1[14], 1]
v1dy = signs_1[15] * temp[site_1, components_1[15], 1]
v1dz = signs_1[16] * temp[site_1, components_1[16], 1]

signs_2 = overlap_i[j][2].signs
components_2 = overlap_i[j][2].components
site_2 = overlap_i[j][2].site

v2xx = signs_2[1] * temp[site_2, components_2[1], 2]
v2yy = signs_2[2] * temp[site_2, components_2[2], 2]
v2zz = signs_2[3] * temp[site_2, components_2[3], 2]
v2xy = signs_2[4] * temp[site_2, components_2[4], 2]
v2xz = signs_2[5] * temp[site_2, components_2[5], 2]
v2yz = signs_2[6] * temp[site_2, components_2[6], 2]
v2yx = signs_2[7] * temp[site_2, components_2[7], 2]
v2zx = signs_2[8] * temp[site_2, components_2[8], 2]
v2zy = signs_2[9] * temp[site_2, components_2[9], 2]
v2dd = signs_2[10] * temp[site_2, components_2[10], 2]
v2xd = signs_2[11] * temp[site_2, components_2[11], 2]
v2yd = signs_2[12] * temp[site_2, components_2[12], 2]
v2zd = signs_2[13] * temp[site_2, components_2[13], 2]
v2dx = signs_2[14] * temp[site_2, components_2[14], 2]
v2dy = signs_2[15] * temp[site_2, components_2[15], 2]
v2dz = signs_2[16] * temp[site_2, components_2[16], 2]
v1xx = signs[1, 1, j] * temp[sites[1, j], components[1, 1, j], 1]
v1yy = signs[2, 1, j] * temp[sites[1, j], components[2, 1, j], 1]
v1zz = signs[3, 1, j] * temp[sites[1, j], components[3, 1, j], 1]
v1xy = signs[4, 1, j] * temp[sites[1, j], components[4, 1, j], 1]
v1xz = signs[5, 1, j] * temp[sites[1, j], components[5, 1, j], 1]
v1yz = signs[6, 1, j] * temp[sites[1, j], components[6, 1, j], 1]
v1yx = signs[7, 1, j] * temp[sites[1, j], components[7, 1, j], 1]
v1zx = signs[8, 1, j] * temp[sites[1, j], components[8, 1, j], 1]
v1zy = signs[9, 1, j] * temp[sites[1, j], components[9, 1, j], 1]
v1dd = signs[10, 1, j] * temp[sites[1, j], components[10, 1, j], 1]
v1xd = signs[11, 1, j] * temp[sites[1, j], components[11, 1, j], 1]
v1yd = signs[12, 1, j] * temp[sites[1, j], components[12, 1, j], 1]
v1zd = signs[13, 1, j] * temp[sites[1, j], components[13, 1, j], 1]
v1dx = signs[14, 1, j] * temp[sites[1, j], components[14, 1, j], 1]
v1dy = signs[15, 1, j] * temp[sites[1, j], components[15, 1, j], 1]
v1dz = signs[16, 1, j] * temp[sites[1, j], components[16, 1, j], 1]

v2xx = signs[1, 2, j] * temp[sites[2, j], components[1, 2, j], 2]
v2yy = signs[2, 2, j] * temp[sites[2, j], components[2, 2, j], 2]
v2zz = signs[3, 2, j] * temp[sites[2, j], components[3, 2, j], 2]
v2xy = signs[4, 2, j] * temp[sites[2, j], components[4, 2, j], 2]
v2xz = signs[5, 2, j] * temp[sites[2, j], components[5, 2, j], 2]
v2yz = signs[6, 2, j] * temp[sites[2, j], components[6, 2, j], 2]
v2yx = signs[7, 2, j] * temp[sites[2, j], components[7, 2, j], 2]
v2zx = signs[8, 2, j] * temp[sites[2, j], components[8, 2, j], 2]
v2zy = signs[9, 2, j] * temp[sites[2, j], components[9, 2, j], 2]
v2dd = signs[10, 2, j] * temp[sites[2, j], components[10, 2, j], 2]
v2xd = signs[11, 2, j] * temp[sites[2, j], components[11, 2, j], 2]
v2yd = signs[12, 2, j] * temp[sites[2, j], components[12, 2, j], 2]
v2zd = signs[13, 2, j] * temp[sites[2, j], components[13, 2, j], 2]
v2dx = signs[14, 2, j] * temp[sites[2, j], components[14, 2, j], 2]
v2dy = signs[15, 2, j] * temp[sites[2, j], components[15, 2, j], 2]
v2dz = signs[16, 2, j] * temp[sites[2, j], components[16, 2, j], 2]

# compute contribution at inner site
Γdd += -p * overlap_i[j][3] * (- 2.0 * v1dd * v2dd
Γdd += -p * mult[j] * (- 2.0 * v1dd * v2dd
+ 2.0 * v1dx * v2xd
+ 2.0 * v1dy * v2yd
+ 2.0 * v1dz * v2zd
)

Γdx += -p * overlap_i[j][3] * (- 2.0 * v1dd * v2dx
Γdx += -p * mult[j] * (- 2.0 * v1dd * v2dx
- 2.0 * v1dx * v2xx
- 2.0 * v1dy * v2yx
- 2.0 * v1dz * v2zx
)

Γdy += -p * overlap_i[j][3] * (- 2.0 * v1dd * v2dy
Γdy += -p * mult[j] * (- 2.0 * v1dd * v2dy
- 2.0 * v1dx * v2xy
- 2.0 * v1dy * v2yy
- 2.0 * v1dz * v2zy
)

Γdz += -p * overlap_i[j][3] * (- 2.0 * v1dd * v2dz
Γdz += -p * mult[j] * (- 2.0 * v1dd * v2dz
- 2.0 * v1dx * v2xz
- 2.0 * v1dy * v2yz
- 2.0 * v1dz * v2zz
)

Γxd += -p * overlap_i[j][3] * (- 2.0 * v1xd * v2dd
Γxd += -p * mult[j] * (- 2.0 * v1xd * v2dd
- 2.0 * v1xx * v2xd
- 2.0 * v1xy * v2yd
- 2.0 * v1xz * v2zd
)

Γxx += -p * overlap_i[j][3] * (+ 2.0 * v1xd * v2dx
Γxx += -p * mult[j] * (+ 2.0 * v1xd * v2dx
- 2.0 * v1xx * v2xx
- 2.0 * v1xy * v2yx
- 2.0 * v1xz * v2zx
)

Γxy += -p * overlap_i[j][3] * (+ 2.0 * v1xd * v2dy
Γxy += -p * mult[j] * (+ 2.0 * v1xd * v2dy
- 2.0 * v1xx * v2xy
- 2.0 * v1xy * v2yy
- 2.0 * v1xz * v2zy
)

Γxz += -p * overlap_i[j][3] * (+ 2.0 * v1xd * v2dz
Γxz += -p * mult[j] * (+ 2.0 * v1xd * v2dz
- 2.0 * v1xx * v2xz
- 2.0 * v1xy * v2yz
- 2.0 * v1xz * v2zz
)

Γyd += -p * overlap_i[j][3] * (- 2.0 * v1yd * v2dd
Γyd += -p * mult[j] * (- 2.0 * v1yd * v2dd
- 2.0 * v1yx * v2xd
- 2.0 * v1yy * v2yd
- 2.0 * v1yz * v2zd
)

Γyx += -p * overlap_i[j][3] * (+ 2.0 * v1yd * v2dx
Γyx += -p * mult[j] * (+ 2.0 * v1yd * v2dx
- 2.0 * v1yx * v2xx
- 2.0 * v1yy * v2yx
- 2.0 * v1yz * v2zx
)

Γyy += -p * overlap_i[j][3] * (+ 2.0 * v1yd * v2dy
Γyy += -p * mult[j] * (+ 2.0 * v1yd * v2dy
- 2.0 * v1yx * v2xy
- 2.0 * v1yy * v2yy
- 2.0 * v1yz * v2zy
)

Γyz += -p * overlap_i[j][3] * (+ 2.0 * v1yd * v2dz
Γyz += -p * mult[j] * (+ 2.0 * v1yd * v2dz
- 2.0 * v1yx * v2xz
- 2.0 * v1yy * v2yz
- 2.0 * v1yz * v2zz
)

Γzd += -p * overlap_i[j][3] * (- 2.0 * v1zd * v2dd
Γzd += -p * mult[j] * (- 2.0 * v1zd * v2dd
- 2.0 * v1zx * v2xd
- 2.0 * v1zy * v2yd
- 2.0 * v1zz * v2zd
)

Γzx += -p * overlap_i[j][3] * (+ 2.0 * v1zd * v2dx
Γzx += -p * mult[j] * (+ 2.0 * v1zd * v2dx
- 2.0 * v1zx * v2xx
- 2.0 * v1zy * v2yx
- 2.0 * v1zz * v2zx
)

Γzy += -p * overlap_i[j][3] * (+ 2.0 * v1zd * v2dy
Γzy += -p * mult[j] * (+ 2.0 * v1zd * v2dy
- 2.0 * v1zx * v2xy
- 2.0 * v1zy * v2yy
- 2.0 * v1zz * v2zy
)

Γzz += -p * overlap_i[j][3] * (+ 2.0 * v1zd * v2dz
Γzz += -p * mult[j] * (+ 2.0 * v1zd * v2dz
- 2.0 * v1zx * v2xz
- 2.0 * v1zy * v2yz
- 2.0 * v1zz * v2zz)
Expand Down
33 changes: 24 additions & 9 deletions src/Lattice/reduced.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ struct Reduced_lattice
model :: String
J :: Vector{Vector{Float64}}
sites :: Vector{Site}
overlap :: Vector{Vector{Tuple{Mapping, Mapping, Int64}}}
overlap :: Vector{Tuple{Matrix{Int64}, Array{Int64, 3}, Array{Float64, 3}, Vector{Int64}}}
mult :: Vector{Int64}
exchange :: Vector{Mapping}
localmap :: Vector{Mapping}
Expand Down Expand Up @@ -838,10 +838,14 @@ function get_overlap(
reduced :: Vector{Int64},
irreducible :: Vector{Int64},
mappings :: Matrix{Mapping}
) :: Vector{Vector{Tuple{Mapping, Mapping, Int64}}}
) :: Vector{Tuple{Matrix{Int64}, Array{Int64, 3}, Array{Float64, 3}, Vector{Int64}}}

# determine number of vertex components
ncomp = length(mappings[1, 1].components)

# allocate overlap
overlap = Vector{Vector{Tuple{eltype(mappings), eltype(mappings), Int64}}}(undef, length(irreducible))
overlap = Vector{Tuple{Matrix{Int64}, Array{Int64, 3}, Array{Float64, 3}, Vector{Int64}}}(undef, length(irreducible))

for i in eachindex(irreducible)

# collect all sites in range of irreducible and origin
Expand All @@ -860,8 +864,11 @@ function get_overlap(

# determine how often a certain pair occurs
pairs = unique(temp)
table = Vector{Tuple{eltype(mappings), eltype(mappings), Int64}}(undef, length(pairs))


sites = zeros(Int64, 2, length(pairs))
components = zeros(Int64, ncomp, 2, length(pairs))
signs = zeros(Float64, ncomp, 2, length(pairs))
mult = zeros(Float64, length(pairs))

for j in eachindex(pairs)
pair = pairs[j]
Expand All @@ -874,12 +881,20 @@ function get_overlap(
end
end
# convert from original lattice index to new "irreducible" index
pair1 = Mapping(findfirst(index -> index == pair[1].site, irreducible), pair[1].components, pair[1].signs)
pair2 = Mapping(findfirst(index -> index == pair[2].site, irreducible), pair[2].components, pair[2].signs)
table[j] = (pair1, pair2, multis)
sites[1, j] = findfirst(index -> index == pair[1].site, irreducible)
sites[2, j] = findfirst(index -> index == pair[2].site, irreducible)

# save spin mappings into arrays
components[:, 1, j] = pair[1].components
components[:, 2, j] = pair[2].components
signs[:, 1, j] = pair[1].signs
signs[:, 2, j] = pair[2].signs

# save multiplicity
mult[j] = multis
end

overlap[i] = table
overlap[i] = (sites, components, signs, mult)
end

return overlap
Expand Down

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