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zinc.f90
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! Part of Zinc FE package. Author: John Blackburn
program zinc
!----------------------------------------------------------------------
! Zinc Is Not Comsol! (much better)
!
! Program to simulate problem:
! -(Cijkl uk,l),j+aik uk=fi; nj(Cijkl uk,l)+qik uk=gi boundary
!
! Reads mesh info from Metamesh output (MTF file)
!
! main, getQ, getQ2 and getR are the only subprogs
! to write to module common in 'common.f90'
!
! Q matrix is ndof*ndof, ndof=nvar*nnod
! (stored sparse: about nvar**2*nnod*27 entries in Qval,iQ,jQ)
! vec, iunk, irowst, irowed, RR are ndof long
! ndof=nvar*nnod, nnod=(imax+1)*(jmax+1)*(kmax+1)
!
! Program input: file.zin, file.mtf (from zmesh via file.min),
! file.rst, file.con, file.dll (opened using LoadLibrary)
! Output: file.zou, file.zls
! use defparam in .con file and for initialization
! uses evalexpr for initialization (could replace with evaltoken)
! The only modules that use evaluate module are qpr.f90 and iofile.f90
! Terminology: In theory manual we have p(alpha,i) with alpha global
! number of node and i var number.
! Here we call p, alpha. I.e. alpha goes over all degress of freedom.
! Same for beta.
! var numbers i,j,k,l are referred as ii,jj,kk,ll
!
! Now extended to 1D and 2D. The rule is that each subprogram is smart
! enough to do the right thing based on NDIM. Caller never needs to
! use getelint2D, getelint3D etc. (and no function overloading)
! Typically subprograms will simply
! have different loop limits based on ndim but some if statements
! will be needed to avoid unnecessary calculations.
! Some subprograms will need to be substantially rewritten 3 ways
! Where functions have the call sequence (i,j,k,...) etc this will stay but
! eg k will be ignored. Actual array sizes are exact not "big enough"
! eg invjac(ndim,ndim) and dur(nvar,ndim). Use array bounds check for bugs
! ----------------------------------------------------------------------
use common
use strings, only : lowercase
use evaluate
use qpr
use indexQ
use update
use iofile
use interpolate
use heap
use matrices
use solvers
use jacobianmod
use cuboid
implicit none
double precision redge(3,2),r(3)
double precision, allocatable :: enreg(:)
integer key_sym,istatus,length,ios,term
integer i,j,k,ic,jc,kc,mreg,mregup,ireg1,nunk,ind,ialpha
integer ifirst,iQ1,jQ1,ip,ii,itot,mtf_nregel,mtf_nregnd
integer i1,j1,k1,ii1,lfname,allocerr(30),tind,kk
character(1000) currfile,line
character(20) temp,cdum
double precision val,x,y,z,enQ,en,u1,err,resid0,s
double precision resid,lhs,rhs,residDiag,lhsDiag,rhsDiag
double precision lhsI,rhsI,lhsIDiag,rhsIDiag,pivot
integer iter,ierrslap,ndofx,iback
real t1,t2
logical jactest,found,backtrack
! ----------------------------------------------------------------------
! Set Gaussian integration points and weights
! ----------------------------------------------------------------------
gauss(1,1)= 0d0; wt(1,1)=2d0
gauss(2,1)=-0.577350269189626d0; wt(2,1)=1d0 ! -sqrt(1/3)
gauss(2,2)= 0.577350269189626d0; wt(2,2)=1d0
gauss(3,1)= 0d0; wt(3,1)=0.888888888888889d0 ! 8/9
gauss(3,2)=-0.774596669241483d0; wt(3,2)=0.555555555555556d0 ! -sqrt(3/5), 5/9
gauss(3,3)= 0.774596669241483d0; wt(3,3)=0.555555555555556d0
gauss(4,1)=-0.339981043584856d0; wt(4,1)=0.652145154862546d0
gauss(4,2)= 0.339981043584856d0; wt(4,2)=0.652145154862546d0
gauss(4,3)=-0.861136311594053d0; wt(4,3)=0.347854845137454d0
gauss(4,4)= 0.861136311594053d0; wt(4,4)=0.347854845137454d0
gauss(5,1)= 0d0; wt(5,1)=0.568888888888889d0
gauss(5,2)=-0.538469310105683d0; wt(5,2)=0.478628670499366d0
gauss(5,3)= 0.538469310105683d0; wt(5,3)=0.478628670499366d0
gauss(5,4)=-0.906179845938664d0; wt(5,4)=0.236926885056189d0
gauss(5,5)= 0.906179845938664d0; wt(5,5)=0.236926885056189d0
! ----------------------------------------------------------------------
! These parameters are set here and cannot be set by the user
! Later we might make these available to the user
! ----------------------------------------------------------------------
centre_eval=.true. ! true = evaluate mat props at centre of element
jac_by_element=.true. ! true = loop over elements not node triplets
jactest=.false. ! true = also calculate jacobian by perturbation
key_sym=0 ! set key_sym=0 for now. Ie, do not symmetrize
backtrack=.false.
! ----------------------------------------------------------------------
! Get single command prompt. Strip .zin off end if found
! ----------------------------------------------------------------------
call get_command_argument(1,fname,length,istatus)
if (istatus.gt.0) then
print *,'Unable to retrieve command line argument!'
call exit(1)
else if (istatus.eq.-1) then
print *,'Filename too long, max 1000 characters'
call exit(1)
endif
fname=lowercase(fname)
lfname=len_trim(fname)
if (lfname.eq.0) then
print *,name,' Error: no input file specified!'
call exit(1)
endif
do i=lfname,1,-1
if (fname(i:i+3).eq.'.zin') then
fname=fname(:i-1)
exit
endif
enddo
write (*,*) 'This is '//trim(name)
print *,'Processing files beginning:'
print *,trim(fname)
date=' '
time=' '
call date_and_time(date,time)
call cpu_time(t1)
! ----------------------------------------------------------------------
! Read the ZIN and CON files. Allocate arrays related to CAFQG, init, BC
! read files and fill these arrays. Set other vars on common.
! Set up procedure pointers if DLL to be linked (cfun...BCfun)
! also sets nvar_rst, nregel, nregnd
! ----------------------------------------------------------------------
call readmatrix
call usersetup(.false.) ! no scanfun needed
! ----------------------------------------------------------------------
! We use 3 Gauss quadrature points in each active direction (might increase)
! Set to 1 if inactive
! ----------------------------------------------------------------------
if (NDIM==3) then
ng_xi=3
ng_eta=3
ng_mu=3
else if (NDIM==2) then
ng_xi=3
ng_eta=3
ng_mu=1
else
ng_xi=3
ng_eta=1
ng_mu=1
endif
print *,'ng=',ng_xi,ng_eta,ng_mu
if (key_sim /=2 .and.(.not.isNL)) nstep=1 ! sanity check
! ----------------------------------------------------------------------
! Read IJKMAX from MTF file
! for 2D KMAX=0
! for 1D JMAX=KMAX=0
! ----------------------------------------------------------------------
term=1
call initfile(1,trim(fname)//'.mtf',term,'old','ASCII')
itot=0
do
call getline(1,ios,line)
if (ios.ne.0) call prterr('Unexpected end of file')
if (index(line,'IMAX').ne.0) then
read (line,*,iostat=ios) cdum,imax
itot=itot+1
else if (index(line,'JMAX').ne.0) then
read (line,*,iostat=ios) cdum,jmax
itot=itot+1
else if (index(line,'KMAX').ne.0) then
read (line,*,iostat=ios) cdum,kmax
itot=itot+1
endif
if (ios.ne.0) call prterr('Incomprehensible imax, jmax or kmax')
if (itot.eq.3) exit
enddo
! ----------------------------------------------------------------------
! Check NDIM versus MTF file
! ----------------------------------------------------------------------
if (NDIM==2.and.kmax /= 0) then
call prterr('Bad 2D MTF file, expect KMAX=0.')
endif
if (NDIM==1.and.(kmax /= 0.or.jmax /= 0)) then
call prterr('Bad 1D MTF file, expect KMAX=0, JMAX=0.')
endif
if (NDIM==3.and.(kmax==0.or.jmax==0.or.imax==0)) then
call prterr('Bad 3D MTF file, IMAX, JMAX, KMAX must be non-zero')
endif
if (NDIM==2.and.(jmax==0.or.imax==0)) then
call prterr('Bad 2D MTF file, IMAX, JMAX must be non-zero')
endif
! ----------------------------------------------------------------------
! Set nnod, ndof.
! Allocate arrays vec,rnode,ireg,iregup,Qval,iQ,jQ,
! enreg,iusel,iregfix,regfix,
! irowst,irowed,RR,iunk
! for 2D k=0, for 1D j=k=0
! ----------------------------------------------------------------------
nel=imax*jmax*kmax
nnod=(imax+1)*(jmax+1)*(kmax+1)
ndof=nnod*nvar
allocerr=0
allocate (irowst(ndof),irowed(ndof),stat=allocerr(1))
allocate (rnode(0:imax,0:jmax,0:kmax,NDIM),stat=allocerr(2))
allocate (ireg(0:imax,0:jmax,0:kmax),stat=allocerr(3))
allocate (iregup(0:imax,0:jmax,0:kmax),stat=allocerr(4))
if (key_Q.eq.1.or.key_Q.eq.2.or.key_Q.eq.4.or.key_Q.eq.5) then
allocate (Qval(nvar**2*nnod*3**NDIM),iQ(nvar**2*nnod*3**NDIM),&
jQ(nvar**2*nnod*3**NDIM),stat=allocerr(5))
else if (key_Q.eq.3) then
allocate(jQ(nvar**2*nnod*27+nvar**2*nel*8),&
Qval(nvar**2*nnod*27+nvar**2*nel*8),&
iQ(ndof),left(ndof),right(ndof),data(ndof),stat=allocerr(5))
endif
allocate (veclookup(ndof))
allocate (enreg(nregel),stat=allocerr(6))
allocate (vec(ndof),vecred(ndof),stat=allocerr(7))
allocate (RR(ndof),iunk(ndof),iunkred(ndof),kfac(ndof),stat=allocerr(8))
if (newton=='YES') then
allocate (Qval0(size(Qval)),vecp(size(vec)),stat=allocerr(9))
allocate (dvec(ndof),Nres(ndof),stat=allocerr(10))
endif
do i=1,10
if (allocerr(i).ne.0) then
write (temp,*) i
call prterr('Failed to allocate array:'//trim(temp))
endif
enddo
! ----------------------------------------------------------------------
! Read geometry data. scale up
! ----------------------------------------------------------------------
mtf_nregnd=0
mtf_nregel=0
do k=0,kmax
do j=0,jmax
do i=0,imax
do
call getline(1,ios,line)
if (ios.ne.0) call prterr('Unexpected end of file')
if (index(line,'REGNO').eq.0.and.index(line,'===').eq.0) exit
enddo
if (NDIM==3) then
read (line,*,iostat=ios) ic,jc,kc,x,y,z,mreg,mregup
else if (NDIM==2) then
read (line,*,iostat=ios) ic,jc,x,y,mreg,mregup
else
read (line,*,iostat=ios) ic,x,mreg,mregup
endif
if (ios.ne.0) call prterr('Incomprehensible mesh file line')
if (NDIM==3.and..not.(i.eq.ic.and.j.eq.jc.and.k.eq.kc)) then
call prterr('Unexpected node: vary i first, then j, then k')
endif
if (NDIM==2.and..not.(i.eq.ic.and.j.eq.jc)) then
call prterr('Unexpected node: vary i first, then j')
endif
if (NDIM==1.and..not.(i.eq.ic)) then
call prterr('Unexpected node: vary i first')
endif
if ( .not.(mreg .ge.1.and.mreg .le.nregnd &
.and. mregup.ge.0.and.mregup.le.nregel)) then
print *,'MTF: ',i,j,k,mreg,mregup
call prterr('Region number out of range in .mtf file:')
endif
rnode(i,j,k,1)=x*scale
if (NDIM>=2) rnode(i,j,k,2)=y*scale
if (NDIM==3) rnode(i,j,k,3)=z*scale
ireg(i,j,k)=mreg
iregup(i,j,k)=mregup
mtf_nregnd=max(mtf_nregnd,mreg)
mtf_nregel=max(mtf_nregel,mregup)
enddo
enddo
enddo
print *,'Found ',mtf_nregel,' element regions'
print *,'Found ',mtf_nregnd,' nodal regions'
if (mtf_nregel /= nregel) call prterr('No. element regions does not match with ZIN file')
if (mtf_nregnd /= nregnd) call prterr('No. nodal regions does not match with ZIN file')
close (1)
! ----------------------------------------------------------------------
! If restart requested, read solution from restart file
! ----------------------------------------------------------------------
if (restart /= 'NONE') then
print *,'Loading restart file: ',trim(restart)
allocate (uinit(0:imax,0:jmax,0:kmax,nvar_rst),stat=allocerr(1))
if (allocerr(1)/=0) call prterr('Could not initialise uinit')
term=1
call initfile(1,restart,term,'old',rst_format)
if (rst_format=="ASCII") then
do
call getline(1,ios,line)
if (ios.ne.0) call prterr('Unexpected end of file, searching for "final"')
if (index(line,'FINAL').ne.0) exit
enddo
! allocate uinit, rs. defparam rs
do i=0,imax
do j=0,jmax
do k=0,kmax
do ii=1,nvar_rst
call getline(1,ios,line)
if (ios.ne.0) call prterr('Unexpected end of file')
if (NDIM==3) then
read (line,*,iostat=ios) i1,j1,k1,ii1,u1
if (ios.ne.0) call prterr('Problem reading .rst file')
if (.not.(i.eq.i1.and.j.eq.j1.and.k.eq.k1.and.ii.eq.ii1)) then
call prterr('Restart file out of sequence: vary k first, then j, then i.' &
//'Must be congruent with .MTF file')
endif
else if (NDIM==2) then
read (line,*,iostat=ios) i1,j1,ii1,u1
if (ios.ne.0) call prterr('Problem reading .rst file')
if (.not.(i.eq.i1.and.j.eq.j1.and.ii.eq.ii1)) then
call prterr('Restart file out of sequence: vary k first, then j, then i.' &
//'Must be congruent with .MTF file')
endif
else
read (line,*,iostat=ios) i1,ii1,u1
if (ios.ne.0) call prterr('Problem reading .rst file')
if (.not.(i.eq.i1.and.ii.eq.ii1)) then
call prterr('Restart file out of sequence: vary k first, then j, then i.' &
//'Must be congruent with .MTF file')
endif
endif
uinit(i,j,k,ii)=u1
enddo
enddo
enddo
enddo
else ! Binary
read (1) ! Ignore strapline
do
read (1,iostat=ios) i
if (ios /= 0) call prterr('Unexpected end of file searching for final snapshot')
if (i == -2) exit ! i j k ii val: i here will not be negative
enddo
do i=0,imax
do j=0,jmax
do k=0,kmax
do ii=1,nvar_rst
if (NDIM==3) then
read (1,iostat=ios) i1,j1,k1,ii1,u1
if (ios.ne.0) call prterr('Problem reading .rst file')
if (.not.(i.eq.i1.and.j.eq.j1.and.k.eq.k1.and.ii.eq.ii1)) then
call prterr('Restart file out of sequence: vary k first, then j, then i')
endif
else if (NDIM==2) then
read (1,iostat=ios) i1,j1,ii1,u1
if (ios.ne.0) call prterr('Problem reading .rst file')
if (.not.(i.eq.i1.and.j.eq.j1.and.ii.eq.ii1)) then
call prterr('Restart file out of sequence: vary k first, then j, then i')
endif
else
read (1,iostat=ios) i1,ii1,u1
if (ios.ne.0) call prterr('Problem reading .rst file')
if (.not.(i.eq.i1.and.ii.eq.ii1)) then
call prterr('Restart file out of sequence: vary k first, then j, then i')
endif
endif
uinit(i,j,k,ii)=u1
enddo
enddo
enddo
enddo
endif
close (1)
endif
! ----------------------------------------------------------------------
! Set initial values either by interpolation or as specified
! by user (evaluate expression if needed)
! EVERY var on EVERY node is set a value here
! ----------------------------------------------------------------------
do ii=1,nvar
if (inits(ii).eq.'INTERP') then
do i=0,imax
do j=0,jmax
do k=0,kmax
ireg1=ireg(i,j,k)
if (iregfix(ireg1,ii).eq.1) then
vec(indQ(i,j,k,ii))=regfix(ireg1,ii)
else if (iregfix(ireg1,ii).gt.1) then
call prterr('Fixed nodes must be set constant if INTERP is to be used')
endif
enddo
enddo
enddo
call interp(ii) ! sets ii var only for non-fixed nodes
! in terms of ii fixed values
else
do i=0,imax
do j=0,jmax
do k=0,kmax
x=rnode(i,j,k,1)
if (NDIM>=2) y=rnode(i,j,k,2)
if (NDIM==3) z=rnode(i,j,k,3)
ireg1=ireg(i,j,k)
if (iregfix(ireg1,ii) == -1) then ! init per region
vec(indQ(i,j,k,ii))=regfix(ireg1,ii)
else if (iregfix(ireg1,ii) == -2) then ! init per region (x,y,z)
call defparam('X',x)
if (NDIM>=2) call defparam('Y',y)
if (NDIM==3) call defparam('Z',z)
call evaltoken(tregfix(ireg1,ii),val)
if (ierr.ne.0) then
print *,'ERROR: Could not resolve initial expression for variable ',ii
call exit(1)
endif
vec(indQ(i,j,k,ii))=val
else if (initi(ii)==0) then ! global init
vec(indQ(i,j,k,ii))=init(ii)
else if (initi(ii)==1) then ! global init (x,y,z)
call defparam('X',x)
if (NDIM>=2) call defparam('Y',y)
if (NDIM==3) call defparam('Z',z)
call evaltoken(initt(ii),val)
if (ierr.ne.0) then
print *,'ERROR: Could not resolve initial expression for variable ',ii
call exit(1)
endif
vec(indQ(i,j,k,ii))=val
else if (initi(ii)==2) then ! global init eg R4*2+x
call defparam('X',x)
if (NDIM>=2) call defparam('Y',y)
if (NDIM==3) call defparam('Z',z)
do kk=1,nvar_rst
call defparam(rs(kk),uinit(i,j,k,kk))
enddo
call evaltoken(initt(ii),val)
if (ierr.ne.0) then
print *,'ERROR: Could not resolve initial expression for variable ',ii
call exit(1)
endif
vec(indQ(i,j,k,ii))=val
else
call prterr('Illegal option during initialisation')
endif
enddo
enddo
enddo
endif
enddo
if (allocated(uinit)) deallocate(uinit)
! ----------------------------------------------------------------------
! set fixed nodes either linear or NL
! ----------------------------------------------------------------------
call fixnodes
! ----------------------------------------------------------------------
! prepare iunk cf vec showing which components of nodes are unknown
! iregfix(1..nreg,ii)=1 if u_ii fixed. regfix(1..nreg,ii) value of fix
! Also prepare nunk, total number of unknowns
! ----------------------------------------------------------------------
nunk=0
ind=0
do k=0,kmax
do j=0,jmax
do i=0,imax
do ii=1,nvar
ind=ind+1
ialpha=indQ(i,j,k,ii)
if (ialpha.ne.ind) then
write (*,*) 'ERROR: wrong index'
call exit(1)
endif
ireg1=ireg(i,j,k)
if (iregfix(ireg1,ii).le.0) then ! <0 means init per region
nunk=nunk+1
iunk(ialpha)=1
else
iunk(ialpha)=0
endif
enddo
enddo
enddo
enddo
! ----------------------------------------------------------------------
! Find cuboid which contains entire simulation. store in redge(3,2)
! ----------------------------------------------------------------------
ifirst=1
do i=0,imax
do j=0,jmax
do k=0,kmax
do ic=1,NDIM
r(ic)=rnode(i,j,k,ic)
enddo
if (ifirst.eq.1) then
do ic=1,NDIM
redge(ic,1)=r(ic)
redge(ic,2)=r(ic)
enddo
ifirst=0
else
do ic=1,NDIM
redge(ic,1)=min(r(ic),redge(ic,1))
redge(ic,2)=max(r(ic),redge(ic,2))
enddo
endif
enddo
enddo
enddo
! ----------------------------------------------------------------------
! Open output file .zls and write basic geometry details
! Write out unknowns if key_db=1
! ----------------------------------------------------------------------
currfile=trim(fname)//'.zls'
term=1
call initfile(1,currfile,term,'unknown','ASCII')
if (NDIM==3) then
write (1,*) 'imax,jmax,kmax=',imax,jmax,kmax
write (1,*) '(Note that i=0,1,...,imax etc)'
write (1,*) 'xrange:',redge(1,1),redge(1,2)
write (1,*) 'yrange:',redge(2,1),redge(2,2)
write (1,*) 'zrange:',redge(3,1),redge(3,2)
else if (NDIM==2) then
write (1,*) 'imax,jmax=',imax,jmax
write (1,*) '(Note that i=0,1,...,imax etc)'
write (1,*) 'xrange:',redge(1,1),redge(1,2)
write (1,*) 'yrange:',redge(2,1),redge(2,2)
else
write (1,*) 'imax=',imax
write (1,*) '(Note that i=0,1,...,imax etc)'
write (1,*) 'xrange:',redge(1,1),redge(1,2)
endif
if (key_db.eq.1) then
write (1,*) 'Sample of iunk vector'
write (1,'(6a6)') 'alpha','i','j','k','ii','iunk'
do k=0,min(kmax,1)
do j=0,jmax
do i=0,imax
do ii=1,nvar
ialpha=indQ(i,j,k,ii)
write (1,'(6i6)') ialpha,i,j,k,ii,iunk(ialpha)
enddo
enddo
enddo
enddo
endif
! ----------------------------------------------------------------------
! Write out matrix details to unit 1
! ----------------------------------------------------------------------
call wrtmatrix(1)
! ----------------------------------------------------------------------
! *** This section is for transient problems, key_sim=2 ***
! ----------------------------------------------------------------------
if (key_sim == 2) then
! ----------------------------------------------------------------------
! Form the Q matrix and R and kfac vectors
! In non-linear case, these will depend on initial state from vec
! symmetrise and archive the Q matrix and write debug info
! ----------------------------------------------------------------------
call getk ! only need to do this once
if (key_Q == 1) then
call getQ(.false.) ! do not remove fixed
else if (key_Q == 2) then
call getQ2(.false.)
else if (key_Q == 3) then
call getQ3 ! deprecated
else if (key_Q == 4) then
call getQcuboid(.false.)
else if (key_Q == 5) then
call getQcuboid2(.false.)
else
call prterr('Illegal key_Q')
endif
if (key_Q /=3) then
if (.not.sorted(iQ,lenQ)) call heapsort(iQ,lenQ) ! heapsort calls swap
call archive
endif
if (key_sym == 1) call symmetrise
if (key_Q==4.or.key_Q==5) then
call getRcuboid(.false.)
else
call getR(.false.) ! starts from scratch
endif
! ----------------------------------------------------------------------
! Write info about Q to *.ZLS. Write out some of the Q matrix
! in debugging case
! ----------------------------------------------------------------------
call Qinfo(.false.) ! not closed up
! ----------------------------------------------------------------------
! Check that empty rows correspond to fixed nodes
! ----------------------------------------------------------------------
if (key_Q /= 3) then
do i=1,ndof
if (irowst(i) == 1.and.irowed(i) == 0.and.iunk(i) == 1) then
write (*,*) 'Variable ',i,' has empty row but not fixed'
call exit(1)
endif
enddo
endif
! ----------------------------------------------------------------------
! Write out initial energy calculated without Q, R from func energy
! ----------------------------------------------------------------------
en=energy(enreg)
write (*,*) 'Initl energy =',en
write (1,*) 'Initl energy =',en
! ----------------------------------------------------------------------
! Calculate energy from Q, R and vec
! ----------------------------------------------------------------------
enQ=0
do ip=1,lenQ
iQ1=iQ(ip)
jQ1=jQ(ip)
enQ=enQ+0.5*vec(iQ1)*Qval(ip)*vec(jQ1)
enddo
do i=1,ndof
enQ=enQ-vec(i)*RR(i)
enddo
write (1,*) 'Initl energy from Q=',enQ
write (*,*) 'Initl energy from Q=',enQ
! ----------------------------------------------------------------------
! open .zou and write header. May be in Binary of ASCII format
! ----------------------------------------------------------------------
term=1
currfile=trim(fname)//'.zou'
call initfile(2,currfile,term,'unknown',zou_format)
! **********************************************************************
! ----------------------------------------------------------------------
! Main loop for transient, iterate vec using Q, R, kfac matrices
! Q is matrix, iQ(ip),jQ(ip),Qval(ip), ip=1..lenQ
! Q_ij * vec_j = R_i for i is in unknown set
! ----------------------------------------------------------------------
! **********************************************************************
write (*,'(a7,4a14)') 'istep','|resid|/|lhs|','|lhs|','|rhs|','|diff|'
write (1,'(//a7,4a14)') 'istep','|resid|/|lhs|','|lhs|','|rhs|','|diff|'
tind=0
do istep=1,nstep
! ----------------------------------------------------------------------
! Perform one update step. Write convergence every nstride steps
! ----------------------------------------------------------------------
call update_transient(mod(istep,nstride)==0) ! true means write convergence
! ----------------------------------------------------------------------
! In transient case, write snapshots
! write in paraview format if requested
! ----------------------------------------------------------------------
if (mod(istep,nstride)==0) then
if (zou_format=="ASCII") then
write (2,*)
write (2,'(a,i10,a,e13.5)') 'istep=',istep,' t=',istep*tstep
else
write (2) -1,istep,istep*tstep
endif
call snapshot(2)
if (key_export == 1) then
tind=tind+1
call pvsnapshot(10,tind)
endif
endif
! ----------------------------------------------------------------------
! update Q, R matrices if necessary (non-linear case)
! Could write more sophisticated routines in future, same prog structure
! ----------------------------------------------------------------------
if (mod(istep,nstrideNL) == 0.and.istep.ne.nstep) then
if (isQNL) then
if (key_Q == 1) then
call getQ(.false.)
else if (key_Q == 2) then
call getQ2(.false.)
else if (key_Q == 3) then
call getQ3
else if (key_Q == 4) then
call getQcuboid(.false.)
else if (key_Q == 5) then
call getQcuboid2(.false.)
endif
if (key_Q /= 3) then
if (.not.sorted(iQ,lenQ)) call heapsort(iQ,lenQ)
call archive
endif
if (key_sym == 1) call symmetrise
endif
if (isRNL) then
if (key_Q==4.or.key_Q==5) then
call getRcuboid(.false.)
else
call getR(.false.)
endif
endif
if (isfixNL) call fixnodes
endif
enddo
! ----------------------------------------------------------------------
! calculate u from final vec and hence get final energy from
! energy func (which does not use Q)
! ----------------------------------------------------------------------
en=energy(enreg)
write (1,*) 'Final Energy =',en
write (*,*) 'Final Energy =',en
write (1,'(a8,a13)') 'Region','Energy'
do i=1,nregel
write (1,'(i8,e13.5)') i,enreg(i)
enddo
! ----------------------------------------------------------------------
! Calculate final energy from Q. Write out and close .zls
! ----------------------------------------------------------------------
enQ=0
do ip=1,lenQ
iQ1=iQ(ip)
jQ1=jQ(ip)
enQ=enQ+0.5*vec(iQ1)*Qval(ip)*vec(jQ1)
enddo
do i=1,ndof
enQ=enQ-vec(i)*RR(i)
enddo
write (1,*) 'Final energy from Q=',enQ
write (*,*) 'Final energy from Q=',enQ
call cpu_time(t2)
write (1,*) 'Time elaspsed',t2-t1,' seconds'
close (1) ! .zls file
! ----------------------------------------------------------------------
! Write final state to .ZOU solution file. Close file (2).
! Also write residual file and paraview
! ----------------------------------------------------------------------
write (*,*) 'Writing final state to .zou'
if (zou_format=="ASCII") then
write (2,*)
write (2,*) '(final) istep=',nstep,' t=',nstep*tstep
else
write (2) -2,nstep,nstep*tstep
endif
if (nodecheck=="YES") then
call nodecheck_snapshot(2)
else
call snapshot(2)
endif
if (residual/="NONE") then
term=1
call initfile(3,trim(fname)//'.resid',term,'unknown',zou_format)
if (zou_format=="ASCII") then
write (3,*)
write (3,*) '(final) istep=',nstep,' t=',nstep*tstep
else
write (3) -2,nstep,nstep*tstep
endif
if (residual=='UNKNOWNS') then
call resid_snapshot(3)
else
call resid_snapshot2(3)
endif
close (3)
endif
if (key_export == 1) then
if (key_sim == 1.or.key_sim == 0) then
call pvsnapshot(10,0)
else
tind=tind+1
call pvsnapshot(10,tind)
endif
endif
close (2)
! ----------------------------------------------------------------------
! OR, use SOR, SLAP, UMFPACK to solve the equations and iterate only in NL situations
! ----------------------------------------------------------------------
else
if (removeFixed=='YES') then
ndofx=ndofred
else
ndofx=ndof
endif
! ----------------------------------------------------------------------
! Do either Newton or regular non-linear run (includes linear with nstep=1)
! Do not close up for Newton
! ----------------------------------------------------------------------
if (newton=='YES') then
do istep=1,nstep
if (key_Q == 1) then
call getQ(.false.)
else if (key_Q == 2) then
call getQ2(.false.)
else if (key_Q==4) then
call getQcuboid(.false.)
else if (key_Q==5) then
call getQcuboid2(.false.)
else
call prterr('Illegal key_Q')
endif
if (.not.sorted(iQ,lenQ)) call heapsort(iQ,lenQ) ! heapsort calls swap
call archive
if (key_sym == 1) call symmetrise
if (key_Q==4.or.key_Q==5) then
call getRcuboid(.false.)
else
call getR(.false.)
endif
if (istep==1) call Qinfo(.false.)
call fixQ
call fixR
resid=0; residDiag=0
lhs=0; lhsDiag=0
rhs=0; rhsDiag=0
do i=1,ndof
lhsI=0
rhsI=RR(i)
pivot=0
Nres(i)=RR(i)