lattice/latticegpu.jl
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Merge branch 'fix/flow_obc' of https://igit.ific.uv.es/langn/lattice-gpu

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Fernando P. Panadero 2025-05-27 10:25:56 +02:00
commit 4326c34621
5 changed files with 54 additions and 17 deletions
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1
docs/make.jl
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@ -13,6 +13,7 @@ makedocs(sitename="LatticeGPU", modules=[LatticeGPU], doctest=true,
"Yang-Mills" => "ym.md", "Yang-Mills" => "ym.md",
"Gradient flow" => "flow.md", "Gradient flow" => "flow.md",
"Schrödinger Functional" => "sf.md", "Schrödinger Functional" => "sf.md",
"Spinors" => "spinors.md",
"Dirac" => "dirac.md", "Dirac" => "dirac.md",
"Solvers" => "solvers.md", "Solvers" => "solvers.md",
"Input Output" => "io.md" "Input Output" => "io.md"

2
src/YM/YM.jl
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@ -165,7 +165,7 @@ include("YMfields.jl")
export randomize!, zero!, norm2 export randomize!, zero!, norm2
include("YMact.jl") include("YMact.jl")
export krnl_plaq!, force_gauge, force_gauge_flw, force_wilson export krnl_plaq!, force_gauge, force_gauge_flw, force_wilson, bnd_rescale_flw!
include("YMhmc.jl") include("YMhmc.jl")
export gauge_action, hamiltonian, plaquette, HMC!, MD! export gauge_action, hamiltonian, plaquette, HMC!, MD!

9
src/YM/YMfields.jl
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@ -9,16 +9,17 @@
### created: Thu Jul 15 15:16:47 2021 ### created: Thu Jul 15 15:16:47 2021
### ###
""" """
function randomize!(f, lp::SpaceParm, ymws::YMworkspace) function randomize!(f, lp::SpaceParm, ymws::YMworkspace; curng=CUDA.default_rng())
Given an algebra field with natural indexing, this routine sets the components to random Gaussian distributed values. If SF boundary conditions are used, the force at the boundaries is set to zero. Given an algebra field with natural indexing, this routine sets the components to random Gaussian distributed values. If SF boundary conditions are used, the force at the boundaries is set to zero.
""" """
function randomize!(f, lp::SpaceParm, ymws::YMworkspace) function randomize!(f, lp::SpaceParm, ymws::YMworkspace; curng=CUDA.default_rng())
if ymws.ALG == SU2alg if ymws.ALG == SU2alg
@timeit "Randomize SU(2) algebra field" begin @timeit "Randomize SU(2) algebra field" begin
m = CUDA.randn(ymws.PRC, lp.bsz,lp.ndim,3,lp.rsz) m = Random.randn(curng, ymws.PRC, lp.bsz,lp.ndim,3,lp.rsz)
CUDA.@sync begin CUDA.@sync begin
CUDA.@cuda threads=lp.bsz blocks=lp.rsz krnl_assign_SU2!(f,m,lp) CUDA.@cuda threads=lp.bsz blocks=lp.rsz krnl_assign_SU2!(f,m,lp)
end end
@ -28,7 +29,7 @@ function randomize!(f, lp::SpaceParm, ymws::YMworkspace)
if ymws.ALG == SU3alg if ymws.ALG == SU3alg
@timeit "Randomize SU(3) algebra field" begin @timeit "Randomize SU(3) algebra field" begin
m = CUDA.randn(ymws.PRC, lp.bsz,lp.ndim,8,lp.rsz) m = Random.randn(curng, ymws.PRC, lp.bsz,lp.ndim,8,lp.rsz)
CUDA.@sync begin CUDA.@sync begin
CUDA.@cuda threads=lp.bsz blocks=lp.rsz krnl_assign_SU3!(f,m,lp) CUDA.@cuda threads=lp.bsz blocks=lp.rsz krnl_assign_SU3!(f,m,lp)
end end

42
src/YM/YMflow.jl
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@ -127,6 +127,22 @@ function add_zth_term(ymws::YMworkspace, U, lp)
return nothing return nothing
end end
"""
function rescale_bnd(ymws::YMworkspace, lp)
Rescales the time-boundary of ymws.frc1 by a factor of 2.0 (needed for open BC)
"""
function rescale_bnd(ymws::YMworkspace, lp)
CUDA.@sync begin
CUDA.@cuda threads=lp.bsz blocks=lp.rsz bnd_rescale_flw!(ymws.frc1,lp::SpaceParm)
end
return nothing
end
function krnl_add_zth!(frc, frc2::AbstractArray{TA}, U::AbstractArray{TG}, lp::SpaceParm{N,M,B,D}) where {TA,TG,N,M,B,D} function krnl_add_zth!(frc, frc2::AbstractArray{TA}, U::AbstractArray{TG}, lp::SpaceParm{N,M,B,D}) where {TA,TG,N,M,B,D}
@inbounds begin @inbounds begin
@ -155,12 +171,14 @@ function krnl_add_zth!(frc, frc2::AbstractArray{TA}, U::AbstractArray{TG}, lp::S
end end
end end
if OBC if OBC
if (it > 1) && (it < lp.iL[end]) if (id < N)
frc2[b,id,r] = (5/6)*frc[b,id,r] + (1/6)*(projalg(Ud\Y*Ud) + frc2[b,id,r] = (5/6)*frc[b,id,r] + (1/6)*(projalg(Ud\Y*Ud) +
projalg(U[b,id,r]*X/U[b,id,r])) projalg(U[b,id,r]*X/U[b,id,r]))
elseif ((it == lp.iL[end]) || (it == 1)) && (id < N) elseif (it > 1) && (it < (lp.iL[end]-1))
frc2[b,id,r] = (5/6)*frc[b,id,r] + (1/6)*(projalg(Ud\Y*Ud) + frc2[b,id,r] = (5/6)*frc[b,id,r] + (1/6)*(projalg(Ud\Y*Ud) +
projalg(U[b,id,r]*X/U[b,id,r])) projalg(U[b,id,r]*X/U[b,id,r]))
elseif (it == 1) || (it == (lp.iL[end]-1))
frc2[b,id,r] = frc[b,id,r]
end end
else else
frc2[b,id,r] = (5/6)*frc[b,id,r] + (1/6)*(projalg(Ud\Y*Ud) + frc2[b,id,r] = (5/6)*frc[b,id,r] + (1/6)*(projalg(Ud\Y*Ud) +
@ -171,6 +189,8 @@ function krnl_add_zth!(frc, frc2::AbstractArray{TA}, U::AbstractArray{TG}, lp::S
return nothing return nothing
end end
""" """
function flw(U, int::FlowIntr{NI,T}, ns::Int64, gp::GaugeParm, lp::SpaceParm, ymws::YMworkspace) function flw(U, int::FlowIntr{NI,T}, ns::Int64, gp::GaugeParm, lp::SpaceParm, ymws::YMworkspace)
@ -204,18 +224,20 @@ flw(U, int::FlowIntr{NI,T}, ns::Int64, gp::GaugeParm, lp::SpaceParm, ymws::YMwor
function flw(U, int::FlowIntr{NI,T}, ns::Int64, eps, gp::GaugeParm, lp::SpaceParm{N,M,BC_OPEN,D}, ymws::YMworkspace) where {NI,T,N,M,D} function flw(U, int::FlowIntr{NI,T}, ns::Int64, eps, gp::GaugeParm, lp::SpaceParm{N,M,BC_OPEN,D}, ymws::YMworkspace) where {NI,T,N,M,D}
@timeit "Integrating flow equations" begin @timeit "Integrating flow equations" begin
for i in 1:ns for i in 1:ns
force_gauge_flw(ymws, U, int.c0, 1, gp, lp) force_gauge(ymws, U, int.c0, 1, gp, lp)
if int.add_zth if int.add_zth
add_zth_term(ymws::YMworkspace, U, lp) add_zth_term(ymws::YMworkspace, U, lp)
end end
rescale_bnd(ymws, lp)
ymws.mom .= ymws.frc1 ymws.mom .= ymws.frc1
U .= expm.(U, ymws.mom, 2*eps*int.r) U .= expm.(U, ymws.mom, 2*eps*int.r)
for k in 1:NI for k in 1:NI
force_gauge_flw(ymws, U, int.c0, 1, gp, lp) force_gauge(ymws, U, int.c0, 1, gp, lp)
if int.add_zth if int.add_zth
add_zth_term(ymws::YMworkspace, U, lp) add_zth_term(ymws::YMworkspace, U, lp)
end end
rescale_bnd(ymws, lp)
ymws.mom .= int.e0[k].*ymws.mom .+ int.e1[k].*ymws.frc1 ymws.mom .= int.e0[k].*ymws.mom .+ int.e1[k].*ymws.frc1
U .= expm.(U, ymws.mom, 2*eps) U .= expm.(U, ymws.mom, 2*eps)
end end
@ -328,6 +350,10 @@ function Eoft_plaq(Eslc, U, gp::GaugeParm{T,G,NN}, lp::SpaceParm{N,M,B,D}, ymws:
for it in 1:lp.iL[end] for it in 1:lp.iL[end]
Eslc[it,ipl] = 2*Etmp[it] Eslc[it,ipl] = 2*Etmp[it]
end end
if OBC ## Spatial plaquettes at time boundary count half (Luescher)
Eslc[1,ipl] = Etmp[1]
Eslc[end,ipl] = Etmp[end]
end
end end
end end
@ -426,16 +452,24 @@ function Eoft_clover(Eslc, U, gp::GaugeParm, lp::SpaceParm{4,M,B,D}, ymws::YMwor
end end
Etmp .= reshape(Array(CUDA.reduce(+, ymws.rm;dims=tp)),lp.iL[end])/V3 Etmp .= reshape(Array(CUDA.reduce(+, ymws.rm;dims=tp)),lp.iL[end])/V3
for it in 1:lp.iL[end] for it in 1:lp.iL[end]
if (B == BC_OPEN) && (it == 1 || it == lp.iL[end])
Eslc[it,ipl1] = 0.0
else
Eslc[it,ipl1] = Etmp[it]/8 Eslc[it,ipl1] = Etmp[it]/8
end end
end
CUDA.@sync begin CUDA.@sync begin
CUDA.@cuda threads=lp.bsz blocks=lp.rsz krnl_add_et!(ymws.rm, ymws.frc2, lp) CUDA.@cuda threads=lp.bsz blocks=lp.rsz krnl_add_et!(ymws.rm, ymws.frc2, lp)
end end
Etmp .= reshape(Array(CUDA.reduce(+, ymws.rm;dims=tp)),lp.iL[end])/V3 Etmp .= reshape(Array(CUDA.reduce(+, ymws.rm;dims=tp)),lp.iL[end])/V3
for it in 1:lp.iL[end] for it in 1:lp.iL[end]
if (B == BC_OPEN) && (it == 1 || it == lp.iL[end])
Eslc[it,ipl2] = 0.0
else
Eslc[it,ipl2] = Etmp[it]/8 Eslc[it,ipl2] = Etmp[it]/8
end end
end
return nothing return nothing
end end

11
src/YM/YMhmc.jl
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@ -68,18 +68,19 @@ function hamiltonian(mom, U, lp, gp, ymws)
return K+V return K+V
end end
""" """
HMC!(U, int::IntrScheme, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspace; noacc=false) HMC!(U, int::IntrScheme, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspace; noacc=false, rng=Random.default_rng(), curng=CUDA.default_rng())
Performs a HMC step (molecular dynamics integration and accept/reject step). The configuration `U` is updated and function returns the energy violation and if the configuration was accepted in a tuple. Performs a HMC step (molecular dynamics integration and accept/reject step). The configuration `U` is updated and function returns the energy violation and if the configuration was accepted in a tuple.
""" """
function HMC!(U, int::IntrScheme, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspace{T}; noacc=false) where T function HMC!(U, int::IntrScheme, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspace{T}; noacc=false, rng=Random.default_rng(), curng=CUDA.default_rng()) where T
@timeit "HMC trayectory" begin @timeit "HMC trayectory" begin
ymws.U1 .= U ymws.U1 .= U
randomize!(ymws.mom, lp, ymws) randomize!(ymws.mom, lp, ymws; curng)
hini = hamiltonian(ymws.mom, U, lp, gp, ymws) hini = hamiltonian(ymws.mom, U, lp, gp, ymws)
MD!(ymws.mom, U, int, lp, gp, ymws) MD!(ymws.mom, U, int, lp, gp, ymws)
@ -93,7 +94,7 @@ function HMC!(U, int::IntrScheme, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspac
end end
if (pacc < 1.0) if (pacc < 1.0)
r = rand() r = rand(rng)
if (pacc < r) if (pacc < r)
U .= ymws.U1 U .= ymws.U1
acc = false acc = false
@ -105,7 +106,7 @@ function HMC!(U, int::IntrScheme, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspac
end end
return dh, acc return dh, acc
end end
HMC!(U, eps, ns, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspace{T}; noacc=false) where T = HMC!(U, omf4(T, eps, ns), lp, gp, ymws; noacc=noacc) HMC!(U, eps, ns, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspace{T}; noacc=false, rng=Random.default_rng(), curng=CUDA.default_rng()) where T = HMC!(U, omf4(T, eps, ns), lp, gp, ymws; noacc=noacc, rng, curng)
""" """
function MD!(mom, U, int::IntrScheme, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspace) function MD!(mom, U, int::IntrScheme, lp::SpaceParm, gp::GaugeParm, ymws::YMworkspace)