Update in order to include the c/a-ratio as additional information about the structure (modules lattice, constitutive_ changed accordingly)

Correction of the expression for the velocity of mobile dislocation densities in constitutive_dislobased.f90

Correction of some Fortran syntax, incompatible with Compaq Visual Fortran (e.g. integer(8))

trunk/CPFEM.f90

@@ -485,17 +485,24 @@
  use prec, only: pReal,pInt,reltol_Outer
  use constitutive, only: constitutive_dotState,constitutive_sizeDotState,&
                          constitutive_state_old,constitutive_state_new
+ use debug
  
  logical integrateState
 
+ integer(pInt) tick,tock,tickrate,maxticks
  integer(pInt) g,i,e,mySize
  real(pReal), dimension(6) :: Tstar_v
  real(pReal) dt
  real(pReal), dimension(constitutive_sizeDotState(g,i,e)) :: residuum
 
  mySize = constitutive_sizeDotState(g,i,e)
+ call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
  residuum = constitutive_state_new(g,i,e)%p(1:mySize) - constitutive_state_old(g,i,e)%p(1:mySize) - &
             dt*constitutive_dotState(Tstar_v,CPFEM_Temperature(i,e),g,i,e)                        ! residuum from evolution of microstructure
+ call system_clock(count=tock,count_rate=tickrate,count_max=maxticks)
+ debug_cumDotStateCalls = debug_cumDotStateCalls + 1_pInt
+ debug_cumDotStateTicks  = debug_cumDotStateTicks + tock-tick
+ if (tock < tick) debug_cumDotStateTicks  = debug_cumDotStateTicks + maxticks
  constitutive_state_new(g,i,e)%p(1:mySize) = constitutive_state_new(g,i,e)%p(1:mySize) - residuum ! update of microstructure
  integrateState = maxval(abs(residuum/constitutive_state_new(g,i,e)%p(1:mySize)),&
                              constitutive_state_new(g,i,e)%p(1:mySize) /= 0.0_pReal) < reltol_Outer
@@ -652,7 +659,7 @@
  logical failed
  integer(pInt) cp_en, ip, grain
  integer(pInt) iInner,dummy, i,j,k,l,m,n
- integer(8) tick,tock,tickrate,maxticks
+ integer(pInt) tick,tock,tickrate,maxticks
  real(pReal) dt, Temperature, det, p_hydro, leapfrog,maxleap
  real(pReal), dimension(6) :: Tstar_v
  real(pReal), dimension(9,9) :: dLp,dTdLp,dRdLp,invdRdLp,eye2
@@ -722,7 +729,7 @@ Inner: do              ! inner iteration: Lp
 !          check for acceleration/deceleration in Newton--Raphson correction
 !
    if (any(Rinner/=Rinner) .and. &                              ! NaN occured at regular speed
-       leapfrog == 1.0) then
+       leapfrog == 1.0) then
      Lpguess = Lpguess_old                                     ! restore known good guess
      msg = 'NaN present'                                       ! croak for cutback
      return

trunk/IO.f90

@@ -40,7 +40,6 @@
  character(256) path
 
  inquire(6, name=path) ! determine outputfile
- write(6,*)'trying to open mattex at',path(1:scan(path,pathSep,back=.true.))//relPath
  open(unit,status='old',err=100,file=path(1:scan(path,pathSep,back=.true.))//relPath)
  IO_open_file = .true.
  return

trunk/constitutive_dislobased.f90

@@ -45,6 +45,7 @@ MODULE constitutive_dislobased
                                                    constitutive_dislobased_sizeState, &
                                                    constitutive_dislobased_sizePostResults
  character(len=64), dimension(:,:), allocatable :: constitutive_dislobased_output
+ character(len=32), dimension(:),   allocatable :: constitutive_dislobased_structureName
  integer(pInt),   dimension(:),     allocatable :: constitutive_dislobased_structure
  integer(pInt),   dimension(:),     allocatable :: constitutive_dislobased_Nslip
  real(pReal), dimension(:),     allocatable :: constitutive_dislobased_C11
@@ -68,6 +69,7 @@ MODULE constitutive_dislobased
  real(pReal), dimension(:),     allocatable :: constitutive_dislobased_c6
  real(pReal), dimension(:),     allocatable :: constitutive_dislobased_c7
  real(pReal), dimension(:),     allocatable :: constitutive_dislobased_c8
+ real(pReal), dimension(:),     allocatable :: constitutive_dislobased_CoverA
  real(pReal), dimension(:,:),   allocatable :: constitutive_dislobased_SlipIntCoeff
  real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Iparallel
  real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Iforest
@@ -102,7 +104,7 @@ subroutine constitutive_dislobased_init(file)
  use math, only: math_Mandel3333to66, math_Voigt66to3333, math_mul3x3
  use IO
  use material
- use lattice, only: lattice_sn, lattice_st, lattice_SlipIntType
+ use lattice, only: lattice_sn, lattice_st, lattice_interactionSlipSlip, lattice_initializeStructure
  integer(pInt), intent(in) :: file
  integer(pInt), parameter :: maxNchunks = 7
  integer(pInt), dimension(1+2*maxNchunks) :: positions
@@ -120,6 +122,7 @@ subroutine constitutive_dislobased_init(file)
  allocate(constitutive_dislobased_sizePostResults(maxNinstance)); constitutive_dislobased_sizePostResults = 0_pInt
  allocate(constitutive_dislobased_output(maxval(phase_Noutput), &
                                                maxNinstance)) ;         constitutive_dislobased_output = ''
+ allocate(constitutive_dislobased_structureName(maxNinstance)) ;  constitutive_dislobased_structureName = ''
  allocate(constitutive_dislobased_structure(maxNinstance)) ;      constitutive_dislobased_structure = 0_pInt
  allocate(constitutive_dislobased_Nslip(maxNinstance)) ;          constitutive_dislobased_Nslip = 0_pInt
  allocate(constitutive_dislobased_C11(maxNinstance)) ;            constitutive_dislobased_C11 = 0.0_pReal
@@ -142,6 +145,7 @@ subroutine constitutive_dislobased_init(file)
  allocate(constitutive_dislobased_c6(maxNinstance))           ;   constitutive_dislobased_c6 = 0.0_pReal
  allocate(constitutive_dislobased_c7(maxNinstance))           ;   constitutive_dislobased_c7 = 0.0_pReal
  allocate(constitutive_dislobased_c8(maxNinstance))           ;   constitutive_dislobased_c8 = 0.0_pReal
+ allocate(constitutive_dislobased_CoverA(maxNinstance))       ;   constitutive_dislobased_CoverA = 0.0_pReal
  allocate(constitutive_dislobased_SlipIntCoeff(6,maxNinstance)) ; constitutive_dislobased_SlipIntCoeff = 0.0_pReal
 
  rewind(file)
@@ -169,7 +173,9 @@ subroutine constitutive_dislobased_init(file)
          output = output + 1
          constitutive_dislobased_output(output,i) = IO_lc(IO_stringValue(line,positions,2))
        case ('lattice_structure')
-              constitutive_dislobased_structure(i) = IO_intValue(line,positions,2)
+              constitutive_dislobased_structureName(i) = IO_lc(IO_stringValue(line,positions,2))
+       case ('covera_ratio')
+              constitutive_dislobased_CoverA(i) = IO_floatValue(line,positions,2)
        case ('nslip')
               constitutive_dislobased_Nslip(i) = IO_intValue(line,positions,2)
        case ('c11')
@@ -208,17 +214,19 @@ subroutine constitutive_dislobased_init(file)
               constitutive_dislobased_c7(i) = IO_floatValue(line,positions,2)
        case ('c8') 
               constitutive_dislobased_c8(i) = IO_floatValue(line,positions,2)
-	   case ('interaction_coefficients') 
+       case ('interaction_coefficients') 
-		      forall (j=2:min(7,positions(1))) &
+         forall (j=2:min(7,positions(1))) &
-              constitutive_dislobased_SlipIntCoeff(j-1,i) = IO_floatValue(line,positions,j)
+           constitutive_dislobased_SlipIntCoeff(j-1,i) = IO_floatValue(line,positions,j)
      end select
    endif
  enddo
 
   
-100 do i = 1,maxNinstance                                        ! sanity checks
+100 do i = 1,maxNinstance
-   if (constitutive_dislobased_structure(i) < 1 .or. &
+   constitutive_dislobased_structure(i) = lattice_initializeStructure(constitutive_dislobased_structureName(i), &
-       constitutive_dislobased_structure(i) > 3)           call IO_error(201)
+                                                                      constitutive_dislobased_CoverA(i))
+! sanity checks
+   if (constitutive_dislobased_structure(i) < 1)           call IO_error(201)
    if (constitutive_dislobased_Nslip(i) < 1)               call IO_error(202)
    if (constitutive_dislobased_rho0(i) < 0.0_pReal)        call IO_error(220)
    if (constitutive_dislobased_bg(i) <= 0.0_pReal)         call IO_error(221)
@@ -259,7 +267,7 @@ subroutine constitutive_dislobased_init(file)
          constitutive_dislobased_Cslip_66(k,k,i)     = constitutive_dislobased_C11(i)
          constitutive_dislobased_Cslip_66(k+3,k+3,i) = constitutive_dislobased_C44(i)
      end forall
-   case(3)   ! hcp
+   case(3:)   ! all hex
      constitutive_dislobased_Cslip_66(1,1,i) = constitutive_dislobased_C11(i)
      constitutive_dislobased_Cslip_66(2,2,i) = constitutive_dislobased_C11(i)
      constitutive_dislobased_Cslip_66(3,3,i) = constitutive_dislobased_C33(i)
@@ -286,14 +294,11 @@ subroutine constitutive_dislobased_init(file)
         x = math_mul3x3(lattice_sn(:,j,i),lattice_st(:,k,i))
         y = 1.0_pReal-x**(2.0_pReal)
        !* Interaction matrix *
-        constitutive_dislobased_Iforest(j,k,i)=abs(x)*&
+        constitutive_dislobased_Iforest(j,k,i) = abs(x)*&
-        constitutive_dislobased_SlipIntCoeff(lattice_SlipIntType(j,k,constitutive_dislobased_structure(i)),i)
+        constitutive_dislobased_SlipIntCoeff(lattice_interactionSlipSlip(j,k,constitutive_dislobased_structure(i)),i)
-        if (y>0.0_pReal) then
+        if (y>0.0_pReal) &
-          constitutive_dislobased_Iparallel(j,k,i)=sqrt(y)*&
+          constitutive_dislobased_Iparallel(j,k,i) = sqrt(y)*&
-          constitutive_dislobased_SlipIntCoeff(lattice_SlipIntType(j,k,constitutive_dislobased_structure(i)),i)
+          constitutive_dislobased_SlipIntCoeff(lattice_interactionSlipSlip(j,k,constitutive_dislobased_structure(i)),i)
-        else
-          constitutive_dislobased_Iparallel(j,k,i)=0.0_pReal
-        endif
       enddo
    enddo
 
@@ -303,7 +308,7 @@ subroutine constitutive_dislobased_init(file)
 
 end subroutine
 
-       
+
 function constitutive_dislobased_stateInit(ipc,ip,el)
 !*********************************************************************
 !* initial microstructural state                                     *
@@ -407,7 +412,7 @@ subroutine constitutive_dislobased_microstructure(Temperature,state,ipc,ip,el)
    state(ipc,ip,el)%p(7*n+i) = &
    state(ipc,ip,el)%p(6*n+i)*constitutive_dislobased_bg(matID)*attack_frequency*state(ipc,ip,el)%p(4*n+i)*&
    exp(-constitutive_dislobased_Qedge(matID)/(kB*Temperature))
-  
+
  enddo
 
 end subroutine
@@ -450,20 +455,24 @@ subroutine constitutive_dislobased_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Tempera
 
 !* Calculation of Lp
  Lp = 0.0_pReal
+ gdot_slip = 0.0_pReal
  do i = 1,constitutive_dislobased_Nslip(matID)
    tau_slip(i)  = math_mul6x6(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID)))
-   gdot_slip(i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip(i))*&
+   if ((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))>0) &
-                  sinh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature))  
+      gdot_slip(i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip(i))*&
+                     sinh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) 
+				   
    Lp = Lp + gdot_slip(i)*lattice_Sslip(:,:,i,constitutive_dislobased_structure(matID))
  enddo
 
-
 !* Calculation of the tangent of Lp
  dLp_dTstar3333 = 0.0_pReal
  dLp_dTstar = 0.0_pReal
+ dgdot_dtauslip = 0.0_pReal
  do i = 1,constitutive_dislobased_Nslip(matID)
-   dgdot_dtauslip(i) = (state(ipc,ip,el)%p(7*n+i)*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)*&
+   if ((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))>0) &
-                        cosh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) 
+      dgdot_dtauslip(i) = (state(ipc,ip,el)%p(7*n+i)*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)*&
+                          cosh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) 
    forall (k=1:3,l=1:3,m=1:3,n=1:3) &
           dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
              dgdot_dtauslip(i)*lattice_Sslip(k,l,i,constitutive_dislobased_structure(matID))* &
@@ -511,13 +520,17 @@ function constitutive_dislobased_dotState(Tstar_v,Temperature,state,ipc,ip,el)
    if (abs(tau_slip) > state(ipc,ip,el)%p(3*n+i)) then
       gdot_slip = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*&
                   sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature))
+
       locks     = (sqrt(state(ipc,ip,el)%p(n+i))*abs(gdot_slip))/&
-                  (constitutive_dislobased_c4(matID)*constitutive_dislobased_bg(matID)) 
+                  (constitutive_dislobased_c4(matID)*constitutive_dislobased_bg(matID))
+				   
       athermal_recovery = constitutive_dislobased_c7(matID)*state(ipc,ip,el)%p(i)*abs(gdot_slip)
-      thermal_recovery  = constitutive_dislobased_c8(matID)*abs(tau_slip)*state(ipc,ip,el)%p(i)**(2.0_pReal)*&
+      
-                          ((constitutive_dislobased_D0(matID)*constitutive_dislobased_bg(matID)**(3.0_pReal))/&
+	  !thermal_recovery  = constitutive_dislobased_c8(matID)*abs(tau_slip)*state(ipc,ip,el)%p(i)**(2.0_pReal)*&
-                          (kB*Temperature))*exp(-constitutive_dislobased_Qsd(matID)/(kB*Temperature))
+      !                    ((constitutive_dislobased_D0(matID)*constitutive_dislobased_bg(matID)**(3.0_pReal))/&
-      constitutive_dislobased_dotState(i) = locks - athermal_recovery !-thermal_recovery
+      !                    (kB*Temperature))*exp(-constitutive_dislobased_Qsd(matID)/(kB*Temperature))
+
+      constitutive_dislobased_dotState(i) = locks - athermal_recovery
    endif
  enddo
 
@@ -564,8 +577,12 @@ pure function constitutive_dislobased_postResults(Tstar_v,Temperature,dt,state,i
      case ('rateofshear')
        do i = 1,n
          tau_slip = math_mul6x6(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID)))
-         constitutive_dislobased_postResults(c+i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*&
+		 if ((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))>0) then
-         sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature))
+            constitutive_dislobased_postResults(c+i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*&
+            sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature))
+	     else
+		    constitutive_dislobased_postResults(c+i) = 0.0_pReal
+		 endif
        enddo
        c = c + n
    end select

trunk/constitutive_j2.f90

@@ -298,18 +298,18 @@ subroutine constitutive_j2_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,sta
  if (norm_Tstar > 0) then
    !* Calculation of Lp
    Lp = Tstar33/norm_Tstar*constitutive_j2_gdot0(matID)/constitutive_j2_fTaylor(matID)* &
-		  (dsqrt(1.5_pReal)/constitutive_j2_fTaylor(matID)*norm_Tstar/state(ipc,ip,el)%p(1))**constitutive_j2_n(matID)
+        (dsqrt(1.5_pReal)/constitutive_j2_fTaylor(matID)*norm_Tstar/state(ipc,ip,el)%p(1))**constitutive_j2_n(matID)
 
    !* Calculation of the tangent of Lp
    factor = constitutive_j2_gdot0(matID)/constitutive_j2_fTaylor(matID)* &
-		  (dsqrt(1.5_pReal)/ constitutive_j2_fTaylor(matID)/state(ipc,ip,el)%p(1))**constitutive_j2_n(matID) * &
+            (dsqrt(1.5_pReal)/ constitutive_j2_fTaylor(matID)/state(ipc,ip,el)%p(1))**constitutive_j2_n(matID) * &
-			  norm_Tstar**(constitutive_j2_n(matID)-1.0_pReal)
+            norm_Tstar**(constitutive_j2_n(matID)-1.0_pReal)
    dLp_dTstar3333 = 0.0_pReal
    forall (k=1:3,l=1:3,m=1:3,n=1:3) &
-		dLp_dTstar3333(k,l,m,n) = Tstar33(k,l)*Tstar33(m,n) * (constitutive_j2_n(matID)-1.0_pReal)/squarenorm_Tstar
+     dLp_dTstar3333(k,l,m,n) = Tstar33(k,l)*Tstar33(m,n) * (constitutive_j2_n(matID)-1.0_pReal)/squarenorm_Tstar
    forall (k=1:3,l=1:3) &
-		dLp_dTstar3333(k,l,k,l) = dLp_dTstar3333(k,l,k,l) + 1.0_pReal
+     dLp_dTstar3333(k,l,k,l) = dLp_dTstar3333(k,l,k,l) + 1.0_pReal
-		dLp_dTstar = math_Plain3333to99(factor * dLp_dTstar3333)
+   dLp_dTstar = math_Plain3333to99(factor * dLp_dTstar3333)
  end if
  
  return

trunk/constitutive_phenomenological.f90

@@ -37,9 +37,11 @@ MODULE constitutive_phenomenological
  integer(pInt),   dimension(:),     allocatable :: constitutive_phenomenological_sizeDotState, &
                                                    constitutive_phenomenological_sizeState, &
                                                    constitutive_phenomenological_sizePostResults
- character(len=64), dimension(:,:), allocatable :: constitutive_phenomenological_output
+ character(len=64), dimension(:,:), allocatable :: constitutive_phenomenological_output
+ character(len=32), dimension(:),   allocatable :: constitutive_phenomenological_structureName
  integer(pInt),   dimension(:),     allocatable :: constitutive_phenomenological_structure
- integer(pInt),   dimension(:),     allocatable :: constitutive_phenomenological_Nslip
+ integer(pInt),   dimension(:),     allocatable :: constitutive_phenomenological_Nslip
+ real(pReal), dimension(:),     allocatable :: constitutive_phenomenological_CoverA
  real(pReal), dimension(:),     allocatable :: constitutive_phenomenological_C11
  real(pReal), dimension(:),     allocatable :: constitutive_phenomenological_C12
  real(pReal), dimension(:),     allocatable :: constitutive_phenomenological_C13
@@ -77,7 +79,8 @@ subroutine constitutive_phenomenological_init(file)
  use prec, only: pInt, pReal
  use math, only: math_Mandel3333to66, math_Voigt66to3333
  use IO
- use material
+ use material
+ use lattice, only: lattice_initializeStructure
  integer(pInt), intent(in) :: file
  integer(pInt), parameter :: maxNchunks = 7
  integer(pInt), dimension(1+2*maxNchunks) :: positions
@@ -92,9 +95,11 @@ subroutine constitutive_phenomenological_init(file)
  allocate(constitutive_phenomenological_sizeState(maxNinstance)) ;      constitutive_phenomenological_sizeState = 0_pInt
  allocate(constitutive_phenomenological_sizePostResults(maxNinstance)); constitutive_phenomenological_sizePostResults = 0_pInt
  allocate(constitutive_phenomenological_output(maxval(phase_Noutput), &
-                                               maxNinstance)) ;         constitutive_phenomenological_output = ''
+                                               maxNinstance)) ;         constitutive_phenomenological_output = ''
+ allocate(constitutive_phenomenological_structureName(maxNinstance)) ;  constitutive_phenomenological_structureName = ''
  allocate(constitutive_phenomenological_structure(maxNinstance)) ;      constitutive_phenomenological_structure = 0_pInt
- allocate(constitutive_phenomenological_Nslip(maxNinstance)) ;          constitutive_phenomenological_Nslip = 0_pInt
+ allocate(constitutive_phenomenological_Nslip(maxNinstance)) ;          constitutive_phenomenological_Nslip = 0_pInt
+ allocate(constitutive_phenomenological_CoverA(maxNinstance))       ;   constitutive_phenomenological_CoverA = 0.0_pReal
  allocate(constitutive_phenomenological_C11(maxNinstance)) ;            constitutive_phenomenological_C11 = 0.0_pReal
  allocate(constitutive_phenomenological_C12(maxNinstance)) ;            constitutive_phenomenological_C12 = 0.0_pReal
  allocate(constitutive_phenomenological_C13(maxNinstance)) ;            constitutive_phenomenological_C13 = 0.0_pReal
@@ -133,10 +138,12 @@ subroutine constitutive_phenomenological_init(file)
        case ('(output)')
          output = output + 1
          constitutive_phenomenological_output(output,i) = IO_lc(IO_stringValue(line,positions,2))
-       case ('lattice_structure')
+       case ('lattice_structure')
-              constitutive_phenomenological_structure(i) = IO_intValue(line,positions,2)
+              constitutive_phenomenological_structureName(i) = IO_lc(IO_stringValue(line,positions,2))
        case ('nslip')
-              constitutive_phenomenological_Nslip(i) = IO_intValue(line,positions,2)
+              constitutive_phenomenological_Nslip(i) = IO_intValue(line,positions,2)
+	   case ('covera_ratio')
+              constitutive_phenomenological_CoverA(i) = IO_floatValue(line,positions,2)
        case ('c11')
               constitutive_phenomenological_C11(i) = IO_floatValue(line,positions,2)
        case ('c12')
@@ -165,7 +172,9 @@ subroutine constitutive_phenomenological_init(file)
    endif
  enddo
 
-100 do i = 1,maxNinstance                                        ! sanity checks
+100 do i = 1,maxNinstance
+   constitutive_phenomenological_structure(i) = lattice_initializeStructure(constitutive_phenomenological_structureName(i), &
+                                                                      constitutive_phenomenological_CoverA(i))                                        ! sanity checks
    if (constitutive_phenomenological_structure(i) < 1 .or. &
        constitutive_phenomenological_structure(i) > 3)           call IO_error(201)
    if (constitutive_phenomenological_Nslip(i) < 1)               call IO_error(202)

trunk/debug.f90

@@ -9,8 +9,10 @@
  integer(pInt), dimension(nCutback+1) :: debug_cutbackDistribution = 0_pInt
  integer(pInt), dimension(nInner) :: debug_InnerLoopDistribution = 0_pInt
  integer(pInt), dimension(nOuter) :: debug_OuterLoopDistribution = 0_pInt
- integer(8)    :: debug_cumLpTicks = 0_pInt
+ integer(pInt) :: debug_cumLpTicks = 0_pInt
+ integer(pInt) :: debug_cumDotStateTicks = 0_pInt
  integer(pInt) :: debug_cumLpCalls = 0_pInt
+ integer(pInt) :: debug_cumDotStateCalls = 0_pInt
  logical :: debugger = .false.
  logical :: distribution_init = .false.
 
@@ -26,18 +28,26 @@
  implicit none
 
  integer(pInt) i,integral
- integer(8) tickrate
+ integer(pInt) tickrate
 
  write(6,*)
  write(6,*) 'DEBUG Info'
  write(6,*)
- write(6,'(a33,x,i9)')	'total calls to LpAndItsTangent  :',debug_cumLpCalls
+ write(6,'(a33,x,i12)')	'total calls to LpAndItsTangent  :',debug_cumLpCalls
  if (debug_cumLpCalls > 0_pInt) then
    call system_clock(count_rate=tickrate)
-   write(6,'(a33,x,f10.6)') 'avg CPU time/microsecs per call :',dble(debug_cumLpTicks)/tickrate/1.0e-6_pReal/debug_cumLpCalls
+   write(6,'(a33,x,f12.6)') 'avg CPU time/microsecs per call :',dble(debug_cumLpTicks)/tickrate/1.0e-6_pReal/debug_cumLpCalls
    write(6,'(a33,x,i12)')   'total CPU ticks                 :',debug_cumLpTicks
  endif
  write(6,*)
+ write(6,'(a33,x,i12)')	'total calls to dotState             :',debug_cumDotStateCalls
+ if (debug_cumdotStateCalls > 0_pInt) then
+   call system_clock(count_rate=tickrate)
+   write(6,'(a33,x,f12.6)') 'avg CPU time/microsecs per call :',&
+     dble(debug_cumDotStateTicks)/tickrate/1.0e-6_pReal/debug_cumDotStateCalls
+   write(6,'(a33,x,i12)')   'total CPU ticks                 :',debug_cumDotStateTicks
+ endif
+ write(6,*)
  write(6,*)	'distribution_cutback :'
  do i=0,nCutback
    if (debug_cutbackDistribution(i+1) /= 0) write(6,*) i,debug_cutbackDistribution(i+1)

trunk/material.f90

@@ -13,6 +13,10 @@ use prec, only: pReal,pInt
 implicit none
 
 character(len=64), parameter :: material_configFile = 'material.config'
+character(len=32), parameter :: material_partHomogenization = 'homogenization'
+character(len=32), parameter :: material_partMicrostructure = 'microstructure'
+character(len=32), parameter :: material_partPhase =          'phase'
+character(len=32), parameter :: material_partTexture =        'texture'
 
 
 !*************************************
@@ -68,13 +72,13 @@ subroutine material_init()
 
  if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
  write(6,*) 'parsing homogenization...'
- call material_parseHomogenization(fileunit)
+ call material_parseHomogenization(fileunit,material_partHomogenization)
  write(6,*) 'parsing microstrcuture...'
- call material_parseMicrostructure(fileunit)
+ call material_parseMicrostructure(fileunit,material_partMicrostructure)
  write(6,*) 'parsing texture...'
- call material_parseTexture(fileunit)
+ call material_parseTexture(fileunit,material_partTexture)
  write(6,*) 'parsing phase...'
- call material_parsePhase(fileunit)
+ call material_parsePhase(fileunit,material_partPhase)
  close(fileunit)
 
  do i = 1,material_Nmicrostructure
@@ -105,14 +109,14 @@ end subroutine
 
 
 !*********************************************************************
-subroutine material_parseHomogenization(file)
+subroutine material_parseHomogenization(file,myPart)
 !*********************************************************************
 
  use prec, only: pInt
  use IO
  implicit none
 
- character(len=32), parameter :: myPart = 'homogenization'
+ character(len=*), intent(in) :: myPart
  integer(pInt), intent(in) :: file
  integer(pInt), parameter :: maxNchunks = 2
  integer(pInt), dimension(1+2*maxNchunks) :: positions
@@ -161,14 +165,14 @@ subroutine material_parseHomogenization(file)
 
 
 !*********************************************************************
-subroutine material_parseMicrostructure(file)
+subroutine material_parseMicrostructure(file,myPart)
 !*********************************************************************
 
  use prec, only: pInt
  use IO
  implicit none
 
- character(len=32), parameter :: myPart = 'microstructure'
+ character(len=*), intent(in) :: myPart
  integer(pInt), intent(in) :: file
  integer(pInt), parameter :: maxNchunks = 7
  integer(pInt), dimension(1+2*maxNchunks) :: positions
@@ -231,14 +235,14 @@ subroutine material_parseMicrostructure(file)
 
 
 !*********************************************************************
-subroutine material_parsePhase(file)
+subroutine material_parsePhase(file,myPart)
 !*********************************************************************
 
  use prec, only: pInt
  use IO
  implicit none
 
- character(len=32), parameter :: myPart = 'phase'
+ character(len=*), intent(in) :: myPart
  integer(pInt), intent(in) :: file
  integer(pInt), parameter :: maxNchunks = 2
  integer(pInt), dimension(1+2*maxNchunks) :: positions
@@ -246,7 +250,7 @@ subroutine material_parsePhase(file)
  character(len=64) tag
  character(len=1024) line
  
- Nsections= IO_countSections(file,myPart)
+ Nsections = IO_countSections(file,myPart)
  material_Nphase = Nsections
  allocate(phase_name(Nsections));          phase_name = ''
  allocate(phase_constitution(Nsections));  phase_constitution = ''
@@ -291,7 +295,7 @@ subroutine material_parsePhase(file)
 
 
 !*********************************************************************
-subroutine material_parseTexture(file)
+subroutine material_parseTexture(file,myPart)
 !*********************************************************************
 
  use prec, only: pInt, pReal
@@ -299,7 +303,7 @@ subroutine material_parseTexture(file)
  use math, only: inRad
  implicit none
 
- character(len=32), parameter :: myPart = 'texture'
+ character(len=*), intent(in) :: myPart
  integer(pInt), intent(in) :: file
  integer(pInt), parameter :: maxNchunks = 13
  integer(pInt), dimension(1+2*maxNchunks) :: positions

trunk/math.f90

@@ -1210,7 +1210,7 @@ end subroutine
  real(pReal), intent(in) :: omega
  real(pReal), dimension(3) :: axisNrm
  real(pReal), dimension(3,3) :: math_RodrigToR
- real(pReal) s,c
+ real(pReal) s,c,c1
  integer(pInt) i
 
  forall (i=1:3) axisNrm(i) = axis(i)/dsqrt(math_mul3x3(axis,axis))

trunk/mpie_cpfem_marc2007r1.f90

@@ -33,8 +33,8 @@
  include "IO.f90"               ! uses prec, debug, math
  include "FEsolving.f90"        ! uses prec, IO
  include "mesh.f90"             ! uses prec, IO, math, FEsolving
- include "lattice.f90"          ! uses prec, math
  include "material.f90"         ! uses prec, math, IO, mesh
+ include "lattice.f90"          ! uses prec, math
  include "constitutive_phenomenological.f90"     ! uses prec, math, IO, lattice, material, debug
  include "constitutive_j2.f90"                   ! uses prec, math, IO, lattice, material, debug
  include "constitutive_dislobased.f90"           ! uses prec, math, IO, lattice, material, debug
@@ -168,7 +168,9 @@
      debug_InnerLoopDistribution = 0_pInt
      debug_OuterLoopDistribution = 0_pInt
      debug_cumLpTicks = 0
+     debug_cumDotStateTicks = 0
      debug_cumLpCalls = 0_pInt
+     debug_cumDotStateCalls = 0_pInt
    endif
  endif
  if (cptim > theTime .or. theInc /= inc) then                                   ! reached convergence

trunk/mpie_cpfem_marc2008r1.f90

@@ -168,7 +168,9 @@
      debug_InnerLoopDistribution = 0_pInt
      debug_OuterLoopDistribution = 0_pInt
      debug_cumLpTicks = 0
+     debug_cumDotStateTicks = 0
      debug_cumLpCalls = 0_pInt
+     debug_cumDotStateCalls = 0_pInt
    endif
  endif
  if (cptim > theTime .or. theInc /= inc) then                                   ! reached convergence