func (o *PrincStrainsUp) dbg_init(s *State, ε, Δε []float64, eid, ipid int) {
if eid == o.DbgEid && ipid == o.DbgIpId {
if len(o.DbgRes) == 0 {
ε0 := make([]float64, o.Nsig)
la.VecAdd2(ε0, 1, ε, -1, Δε) // ε0 = ε - Δε
o.DbgRes = append(o.DbgRes, s.GetCopy())
o.DbgSts = append(o.DbgSts, ε0)
}
}
}
// Run runs simulation
func (o *Driver) Run(pth *Path) (err error) {
// specialised models
var sml Small
var eup SmallStrainUpdater
switch m := o.model.(type) {
case Small:
sml = m
case SmallStrainUpdater:
eup = m
default:
return chk.Err("cannot handle large-deformation models yet\n")
}
// elastoplastic model
epm := o.model.(EPmodel)
// initial stresses
σ0 := make([]float64, o.nsig)
σ0[0] = pth.MultS * pth.Sx[0]
σ0[1] = pth.MultS * pth.Sy[0]
σ0[2] = pth.MultS * pth.Sz[0]
// allocate results arrays
nr := 1 + (pth.Size()-1)*pth.Nincs
if nr < 2 {
return chk.Err(_driver_err04, pth.Size(), pth.Nincs)
}
o.Res = make([]*State, nr)
o.Eps = la.MatAlloc(nr, o.nsig)
for i := 0; i < nr; i++ {
o.Res[i], err = o.model.InitIntVars(σ0)
if err != nil {
return
}
}
// put initial stress in predictor-corrector array
o.PreCor = [][]float64{o.Res[0].Sig}
// auxiliary variables
Δσ := make([]float64, o.nsig)
Δε := make([]float64, o.nsig)
// variables for checking D
var tmp float64
var εold, εnew, Δεtmp []float64
var stmp *State
derivfcn := num.DerivCen
if o.CheckD {
εold = make([]float64, o.nsig)
εnew = make([]float64, o.nsig)
Δεtmp = make([]float64, o.nsig)
stmp, err = o.model.InitIntVars(σ0)
if err != nil {
return
}
if o.UseDfwd {
derivfcn = num.DerivFwd
}
}
// update states
k := 1
for i := 1; i < pth.Size(); i++ {
// stress path
if pth.UseS[i] > 0 {
return chk.Err("cannot run StrainUpdate for stress paths at the moment")
Δσ[0] = pth.MultS * (pth.Sx[i] - pth.Sx[i-1]) / float64(pth.Nincs)
Δσ[1] = pth.MultS * (pth.Sy[i] - pth.Sy[i-1]) / float64(pth.Nincs)
Δσ[2] = pth.MultS * (pth.Sz[i] - pth.Sz[i-1]) / float64(pth.Nincs)
for inc := 0; inc < pth.Nincs; inc++ {
// update
o.Res[k].Set(o.Res[k-1])
copy(o.Eps[k], o.Eps[k-1])
if eup != nil {
err = eup.StrainUpdate(o.Res[k], Δσ)
}
if err != nil {
if !o.Silent {
io.Pfred(_driver_err01, err)
}
return
}
k += 1
}
}
// strain path
if pth.UseE[i] > 0 {
Δε[0] = pth.MultE * (pth.Ex[i] - pth.Ex[i-1]) / float64(pth.Nincs)
Δε[1] = pth.MultE * (pth.Ey[i] - pth.Ey[i-1]) / float64(pth.Nincs)
Δε[2] = pth.MultE * (pth.Ez[i] - pth.Ez[i-1]) / float64(pth.Nincs)
for inc := 0; inc < pth.Nincs; inc++ {
// update strains
la.VecAdd2(o.Eps[k], 1, o.Eps[k-1], 1, Δε) // εnew = εold + Δε
// update stresses
o.Res[k].Set(o.Res[k-1])
err = sml.Update(o.Res[k], o.Eps[k], Δε, 0, 0)
if err != nil {
if !o.Silent {
io.Pfred(_driver_err02, err)
}
return
}
if epm != nil {
tmp := o.Res[k-1].GetCopy()
//s0 := make([]float64, o.nsig)
//_, p0, q0 := tsr.M_devσ(s0, o.Res[k-1].Sig)
//io.Pfblue2("p=%v q=%v\n", p0, q0)
epm.ElastUpdate(tmp, o.Eps[k])
o.PreCor = append(o.PreCor, tmp.Sig, o.Res[k].Sig)
}
// check consistent matrix
if o.CheckD {
firstIt := false
err = sml.CalcD(o.D, o.Res[k], firstIt)
if err != nil {
return chk.Err(_driver_err03, err)
}
copy(εold, o.Eps[k-1])
copy(εnew, o.Eps[k])
has_error := false
if o.VerD {
io.Pf("\n")
}
for i := 0; i < o.nsig; i++ {
for j := 0; j < o.nsig; j++ {
dnum := derivfcn(func(x float64, args ...interface{}) (res float64) {
tmp, εnew[j] = εnew[j], x
for l := 0; l < o.nsig; l++ {
Δεtmp[l] = εnew[l] - εold[l]
}
stmp.Set(o.Res[k-1])
err = sml.Update(stmp, εnew, Δεtmp, 0, 0)
if err != nil {
chk.Panic("cannot run Update for numerical derivative: %v", err)
}
res, εnew[j] = stmp.Sig[i], tmp
return
}, εnew[j])
err := chk.PrintAnaNum(io.Sf("D[%d][%d]", i, j), o.TolD, o.D[i][j], dnum, o.VerD)
if err != nil {
has_error = true
}
}
}
if has_error {
return chk.Err(_driver_err03, "ana-num comparison failed\n")
}
}
k += 1
}
}
}
return
}
// Radau5 step function
func radau5_step_mpi(o *Solver, y0 []float64, x0 float64, args ...interface{}) (rerr float64, err error) {
// factors
α := r5.α_ / o.h
β := r5.β_ / o.h
γ := r5.γ_ / o.h
// Jacobian and decomposition
if o.reuseJdec {
o.reuseJdec = false
} else {
// calculate only first Jacobian for all iterations (simple/modified Newton's method)
if o.reuseJ {
o.reuseJ = false
} else if !o.jacIsOK {
// Jacobian triplet
if o.jac == nil { // numerical
//if x0 == 0.0 { io.Pfgrey(" > > > > > > > > . . . numerical Jacobian . . . < < < < < < < < <\n") }
err = num.JacobianMpi(&o.dfdyT, func(fy, y []float64) (e error) {
e = o.fcn(fy, o.h, x0, y, args...)
return
}, y0, o.f0, o.w[0], o.Distr) // w works here as workspace variable
} else { // analytical
//if x0 == 0.0 { io.Pfgrey(" > > > > > > > > . . . analytical Jacobian . . . < < < < < < < < <\n") }
err = o.jac(&o.dfdyT, o.h, x0, y0, args...)
}
if err != nil {
return
}
// create M matrix
if o.doinit && !o.hasM {
o.mTri = new(la.Triplet)
if o.Distr {
id, sz := mpi.Rank(), mpi.Size()
start, endp1 := (id*o.ndim)/sz, ((id+1)*o.ndim)/sz
o.mTri.Init(o.ndim, o.ndim, endp1-start)
for i := start; i < endp1; i++ {
o.mTri.Put(i, i, 1.0)
}
} else {
o.mTri.Init(o.ndim, o.ndim, o.ndim)
for i := 0; i < o.ndim; i++ {
o.mTri.Put(i, i, 1.0)
}
}
}
o.njeval += 1
o.jacIsOK = true
}
// initialise triplets
if o.doinit {
o.rctriR = new(la.Triplet)
o.rctriC = new(la.TripletC)
o.rctriR.Init(o.ndim, o.ndim, o.mTri.Len()+o.dfdyT.Len())
xzmono := o.Distr
o.rctriC.Init(o.ndim, o.ndim, o.mTri.Len()+o.dfdyT.Len(), xzmono)
}
// update triplets
la.SpTriAdd(o.rctriR, γ, o.mTri, -1, &o.dfdyT) // rctriR := γ*M - dfdy
la.SpTriAddR2C(o.rctriC, α, β, o.mTri, -1, &o.dfdyT) // rctriC := (α+βi)*M - dfdy
// initialise solver
if o.doinit {
err = o.lsolR.InitR(o.rctriR, false, false, false)
if err != nil {
return
}
err = o.lsolC.InitC(o.rctriC, false, false, false)
if err != nil {
return
}
}
// perform factorisation
o.lsolR.Fact()
o.lsolC.Fact()
o.ndecomp += 1
}
// updated u[i]
o.u[0] = x0 + r5.c[0]*o.h
o.u[1] = x0 + r5.c[1]*o.h
o.u[2] = x0 + r5.c[2]*o.h
// (trial/initial) updated z[i] and w[i]
if o.first || o.ZeroTrial {
for m := 0; m < o.ndim; m++ {
o.z[0][m], o.w[0][m] = 0.0, 0.0
o.z[1][m], o.w[1][m] = 0.0, 0.0
o.z[2][m], o.w[2][m] = 0.0, 0.0
}
} else {
c3q := o.h / o.hprev
c1q := r5.μ1 * c3q
c2q := r5.μ2 * c3q
for m := 0; m < o.ndim; m++ {
o.z[0][m] = c1q * (o.ycol[0][m] + (c1q-r5.μ4)*(o.ycol[1][m]+(c1q-r5.μ3)*o.ycol[2][m]))
o.z[1][m] = c2q * (o.ycol[0][m] + (c2q-r5.μ4)*(o.ycol[1][m]+(c2q-r5.μ3)*o.ycol[2][m]))
o.z[2][m] = c3q * (o.ycol[0][m] + (c3q-r5.μ4)*(o.ycol[1][m]+(c3q-r5.μ3)*o.ycol[2][m]))
o.w[0][m] = r5.Ti[0][0]*o.z[0][m] + r5.Ti[0][1]*o.z[1][m] + r5.Ti[0][2]*o.z[2][m]
o.w[1][m] = r5.Ti[1][0]*o.z[0][m] + r5.Ti[1][1]*o.z[1][m] + r5.Ti[1][2]*o.z[2][m]
o.w[2][m] = r5.Ti[2][0]*o.z[0][m] + r5.Ti[2][1]*o.z[1][m] + r5.Ti[2][2]*o.z[2][m]
}
}
// iterations
o.nit = 0
o.η = math.Pow(max(o.η, o.ϵ), 0.8)
o.θ = o.θmax
o.diverg = false
var Lδw, oLδw, thq, othq, iterr, itRerr, qnewt float64
var it int
for it = 0; it < o.NmaxIt; it++ {
// max iterations ?
o.nit = it + 1
if o.nit > o.nitmax {
o.nitmax = o.nit
}
// evaluate f(x,y) at (u[i],v[i]=y0+z[i])
for i := 0; i < 3; i++ {
for m := 0; m < o.ndim; m++ {
o.v[i][m] = y0[m] + o.z[i][m]
}
o.nfeval += 1
err = o.fcn(o.f[i], o.h, o.u[i], o.v[i], args...)
if err != nil {
return
}
}
// calc rhs
if o.hasM {
// using δw as workspace here
la.SpMatVecMul(o.δw[0], 1, o.mMat, o.w[0]) // δw0 := M * w0
la.SpMatVecMul(o.δw[1], 1, o.mMat, o.w[1]) // δw1 := M * w1
la.SpMatVecMul(o.δw[2], 1, o.mMat, o.w[2]) // δw2 := M * w2
if o.Distr {
mpi.AllReduceSum(o.δw[0], o.v[0]) // v is used as workspace here
mpi.AllReduceSum(o.δw[1], o.v[1]) // v is used as workspace here
mpi.AllReduceSum(o.δw[2], o.v[2]) // v is used as workspace here
}
for m := 0; m < o.ndim; m++ {
o.v[0][m] = r5.Ti[0][0]*o.f[0][m] + r5.Ti[0][1]*o.f[1][m] + r5.Ti[0][2]*o.f[2][m] - γ*o.δw[0][m]
o.v[1][m] = r5.Ti[1][0]*o.f[0][m] + r5.Ti[1][1]*o.f[1][m] + r5.Ti[1][2]*o.f[2][m] - α*o.δw[1][m] + β*o.δw[2][m]
o.v[2][m] = r5.Ti[2][0]*o.f[0][m] + r5.Ti[2][1]*o.f[1][m] + r5.Ti[2][2]*o.f[2][m] - β*o.δw[1][m] - α*o.δw[2][m]
}
} else {
for m := 0; m < o.ndim; m++ {
o.v[0][m] = r5.Ti[0][0]*o.f[0][m] + r5.Ti[0][1]*o.f[1][m] + r5.Ti[0][2]*o.f[2][m] - γ*o.w[0][m]
o.v[1][m] = r5.Ti[1][0]*o.f[0][m] + r5.Ti[1][1]*o.f[1][m] + r5.Ti[1][2]*o.f[2][m] - α*o.w[1][m] + β*o.w[2][m]
o.v[2][m] = r5.Ti[2][0]*o.f[0][m] + r5.Ti[2][1]*o.f[1][m] + r5.Ti[2][2]*o.f[2][m] - β*o.w[1][m] - α*o.w[2][m]
}
}
// solve linear system
o.nlinsol += 1
var errR, errC error
if !o.Distr && o.Pll {
wg := new(sync.WaitGroup)
wg.Add(2)
go func() {
errR = o.lsolR.SolveR(o.δw[0], o.v[0], false)
wg.Done()
}()
go func() {
errC = o.lsolC.SolveC(o.δw[1], o.δw[2], o.v[1], o.v[2], false)
wg.Done()
}()
wg.Wait()
} else {
errR = o.lsolR.SolveR(o.δw[0], o.v[0], false)
errC = o.lsolC.SolveC(o.δw[1], o.δw[2], o.v[1], o.v[2], false)
}
// check for errors from linear solution
if errR != nil || errC != nil {
var errmsg string
if errR != nil {
errmsg += errR.Error()
}
if errC != nil {
if errR != nil {
errmsg += "\n"
}
errmsg += errC.Error()
}
err = errors.New(errmsg)
return
}
// update w and z
for m := 0; m < o.ndim; m++ {
o.w[0][m] += o.δw[0][m]
o.w[1][m] += o.δw[1][m]
o.w[2][m] += o.δw[2][m]
o.z[0][m] = r5.T[0][0]*o.w[0][m] + r5.T[0][1]*o.w[1][m] + r5.T[0][2]*o.w[2][m]
o.z[1][m] = r5.T[1][0]*o.w[0][m] + r5.T[1][1]*o.w[1][m] + r5.T[1][2]*o.w[2][m]
o.z[2][m] = r5.T[2][0]*o.w[0][m] + r5.T[2][1]*o.w[1][m] + r5.T[2][2]*o.w[2][m]
}
// rms norm of δw
Lδw = 0.0
for m := 0; m < o.ndim; m++ {
Lδw += math.Pow(o.δw[0][m]/o.scal[m], 2.0) + math.Pow(o.δw[1][m]/o.scal[m], 2.0) + math.Pow(o.δw[2][m]/o.scal[m], 2.0)
}
Lδw = math.Sqrt(Lδw / float64(3*o.ndim))
// check convergence
if it > 0 {
thq = Lδw / oLδw
if it == 1 {
o.θ = thq
} else {
o.θ = math.Sqrt(thq * othq)
}
othq = thq
if o.θ < 0.99 {
o.η = o.θ / (1.0 - o.θ)
iterr = Lδw * math.Pow(o.θ, float64(o.NmaxIt-o.nit)) / (1.0 - o.θ)
itRerr = iterr / o.fnewt
if itRerr >= 1.0 { // diverging
qnewt = max(1.0e-4, min(20.0, itRerr))
o.dvfac = 0.8 * math.Pow(qnewt, -1.0/(4.0+float64(o.NmaxIt)-1.0-float64(o.nit)))
o.diverg = true
break
}
} else { // diverging badly (unexpected step-rejection)
o.dvfac = 0.5
o.diverg = true
break
}
}
// save old norm
oLδw = Lδw
// converged
if o.η*Lδw < o.fnewt {
break
}
}
// did not converge
if it == o.NmaxIt-1 {
chk.Panic("radau5_step failed with it=%d", it)
}
// diverging => stop
if o.diverg {
rerr = 2.0 // must leave state intact, any rerr is OK
return
}
// error estimate
if o.LerrStrat == 1 {
// simple strategy => HW-VII p123 Eq.(8.17) (not good for stiff problems)
for m := 0; m < o.ndim; m++ {
o.ez[m] = r5.e0*o.z[0][m] + r5.e1*o.z[1][m] + r5.e2*o.z[2][m]
o.lerr[m] = r5.γ0*o.h*o.f0[m] + o.ez[m]
rerr += math.Pow(o.lerr[m]/o.scal[m], 2.0)
}
rerr = max(math.Sqrt(rerr/float64(o.ndim)), 1.0e-10)
} else {
// common
if o.hasM {
for m := 0; m < o.ndim; m++ {
o.ez[m] = r5.e0*o.z[0][m] + r5.e1*o.z[1][m] + r5.e2*o.z[2][m]
o.rhs[m] = o.f0[m]
}
if o.Distr {
la.SpMatVecMul(o.δw[0], γ, o.mMat, o.ez) // δw[0] = γ * M * ez (δw[0] is workspace)
mpi.AllReduceSumAdd(o.rhs, o.δw[0], o.δw[1]) // rhs += join_with_sum(δw[0]) (δw[1] is workspace)
} else {
la.SpMatVecMulAdd(o.rhs, γ, o.mMat, o.ez) // rhs += γ * M * ez
}
} else {
for m := 0; m < o.ndim; m++ {
o.ez[m] = r5.e0*o.z[0][m] + r5.e1*o.z[1][m] + r5.e2*o.z[2][m]
o.rhs[m] = o.f0[m] + γ*o.ez[m]
}
}
// HW-VII p123 Eq.(8.19)
if o.LerrStrat == 2 {
o.lsolR.SolveR(o.lerr, o.rhs, false)
rerr = o.rms_norm(o.lerr)
// HW-VII p123 Eq.(8.20)
} else {
o.lsolR.SolveR(o.lerr, o.rhs, false)
rerr = o.rms_norm(o.lerr)
if !(rerr < 1.0) {
if o.first || o.reject {
for m := 0; m < o.ndim; m++ {
o.v[0][m] = y0[m] + o.lerr[m] // y0perr
}
o.nfeval += 1
err = o.fcn(o.f[0], o.h, x0, o.v[0], args...) // f0perr
if err != nil {
return
}
if o.hasM {
la.VecCopy(o.rhs, 1, o.f[0]) // rhs := f0perr
if o.Distr {
la.SpMatVecMul(o.δw[0], γ, o.mMat, o.ez) // δw[0] = γ * M * ez (δw[0] is workspace)
mpi.AllReduceSumAdd(o.rhs, o.δw[0], o.δw[1]) // rhs += join_with_sum(δw[0]) (δw[1] is workspace)
} else {
la.SpMatVecMulAdd(o.rhs, γ, o.mMat, o.ez) // rhs += γ * M * ez
}
} else {
la.VecAdd2(o.rhs, 1, o.f[0], γ, o.ez) // rhs = f0perr + γ * ez
}
o.lsolR.SolveR(o.lerr, o.rhs, false)
rerr = o.rms_norm(o.lerr)
}
}
}
}
return
}