223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge remote-tracking branch 'origin/development' into solver-cleanup

This commit is contained in:
Martin Diehl 2023-12-29 08:13:21 +01:00
parent b2b3a3f3f0 ccf4867e0c
commit 376d3f6986
No known key found for this signature in database
GPG Key ID: 1FD50837275A0A9B
7 changed files with 44 additions and 60 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

11
CMakeLists.txt
View File

@ -29,6 +29,8 @@ else()
endif()
add_definitions("-D${DAMASK_SOLVER}")
set(CMAKE_Fortran_PREPROCESS "ON")
# EXPERIMENTAL: This might help to detect HDF5 and FFTW3 in the future if PETSc is not aware of them
set(ENV{PKG_CONFIG_PATH} "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/externalpackages:$ENV{PKG_CONFIG_PATH}")
pkg_check_modules(HDF5 hdf5)
@ -91,27 +93,24 @@ if(CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
endif()
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
include(Compiler-GNU)
set(Fortran_COMPILER_VERSION_MIN 9.1)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
include(Compiler-Intel)
set(Fortran_COMPILER_VERSION_MIN 19)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM")
include(Compiler-IntelLLVM)
set(Fortran_COMPILER_VERSION_MIN 19)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "LLVMFlang")
include(Compiler-LLVMFlang)
set(Fortran_COMPILER_VERSION_MIN 19)
else()
message(FATAL_ERROR "Compiler '${CMAKE_Fortran_COMPILER_ID}' not supported")
endif()
if(CMAKE_Fortran_COMPILER_VERSION VERSION_LESS Fortran_COMPILER_VERSION_MIN)
message(FATAL_ERROR "Version '${CMAKE_Fortran_COMPILER_VERSION}' of '${CMAKE_Fortran_COMPILER_ID}' is not supported")
endif()
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
include("Compiler-${CMAKE_Fortran_COMPILER_ID}")
file(STRINGS "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/petsc/conf/petscvariables" PETSC_EXTERNAL_LIB REGEX "PETSC_EXTERNAL_LIB_BASIC = .*$?")
string(REPLACE "PETSC_EXTERNAL_LIB_BASIC = " "" PETSC_EXTERNAL_LIB "${PETSC_EXTERNAL_LIB}")
message("PETSC_EXTERNAL_LIB:\n${PETSC_EXTERNAL_LIB}\n")

2
VERSION
View File

@ -1 +1 @@
3.0.0-alpha8-196-gaed2643af
3.0.0-alpha8-207-ga80fce410

3
cmake/Compiler-GNU.cmake
View File

@ -19,9 +19,6 @@ set (STANDARD_CHECK "-std=f2018 -pedantic-errors" )
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -cpp")
# preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fPIE")
# position independent code

3
cmake/Compiler-Intel.cmake
View File

@ -22,9 +22,6 @@ set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
# preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -no-ftz")
# disable flush underflow to zero, will be set if -O[1,2,3]

3
cmake/Compiler-IntelLLVM.cmake
View File

@ -24,9 +24,6 @@ set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel -fc=ifx")
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
# preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -no-ftz")
# disable flush underflow to zero, will be set if -O[1,2,3]

4
cmake/Compiler-LLVMFlang.cmake
View File

@ -5,8 +5,8 @@ if (OPENMP)
set (OPENMP_FLAGS "-fopenmp")
endif ()
set (STANDARD_CHECK "-std=f2018 -pedantic" )
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -cpp")
# preprocessor

78
src/phase_mechanical_plastic_nonlocal.f90
View File

@ -44,8 +44,7 @@ submodule(phase:plastic) nonlocal
! BEGIN DEPRECATED
integer, dimension(:,:,:), allocatable :: &
iRhoU, & !< state indices for unblocked density
iV, & !< state indices for dislocation velocities
iD !< state indices for stable dipole height
iV !< state indices for dislocation velocities
!END DEPRECATED
real(pREAL), dimension(:,:,:,:,:,:), allocatable :: &
@ -124,7 +123,9 @@ submodule(phase:plastic) nonlocal
type :: tNonlocalDependentState
real(pREAL), allocatable, dimension(:,:) :: &
tau_pass, &
tau_back
tau_back, &
rho_forest, &
max_dipole_height
real(pREAL), allocatable, dimension(:,:,:,:,:) :: &
compatibility
end type tNonlocalDependentState
@ -146,7 +147,6 @@ submodule(phase:plastic) nonlocal
rhoDip, &
rho_dip_edg, &
rho_dip_scr, &
rho_forest, &
gamma, &
v, &
v_edg_pos, &
@ -177,7 +177,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
integer :: &
ph, &
Nmembers, &
sizeState, sizeDotState, sizeDependentState, sizeDeltaState, &
sizeState, sizeDotState, sizeDeltaState, &
s1, s2, &
s, t, l
real(pREAL), dimension(:,:), allocatable :: &
@ -389,11 +389,9 @@ module function plastic_nonlocal_init() result(myPlasticity)
'rhoSglScrewPosImmobile','rhoSglScrewNegImmobile', &
'rhoDipEdge ','rhoDipScrew ', &
'gamma ' ]) * prm%sum_N_sl !< "basic" microstructural state variables that are independent from other state variables
sizeDependentState = size([ 'rhoForest ']) * prm%sum_N_sl !< microstructural state variables that depend on other state variables
sizeState = sizeDotState + sizeDependentState &
sizeState = sizeDotState &
+ size([ 'velocityEdgePos ','velocityEdgeNeg ', &
'velocityScrewPos ','velocityScrewNeg ', &
'maxDipoleHeightEdge ','maxDipoleHeightScrew' ]) * prm%sum_N_sl !< other dependent state variables that are not updated by microstructure
'velocityScrewPos ','velocityScrewNeg ']) * prm%sum_N_sl !< other dependent state variables that are not updated by microstructure
sizeDeltaState = sizeDotState
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,sizeDeltaState,0) ! ToDo: state structure does not follow convention
@ -477,15 +475,17 @@ module function plastic_nonlocal_init() result(myPlasticity)
if (any(plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pREAL)) &
extmsg = trim(extmsg)//' atol_gamma'
stt%rho_forest => plasticState(ph)%state (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nmembers)
stt%v => plasticState(ph)%state (12*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nmembers)
stt%v_edg_pos => plasticState(ph)%state (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nmembers)
stt%v_edg_neg => plasticState(ph)%state (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nmembers)
stt%v_scr_pos => plasticState(ph)%state (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers)
stt%v_scr_neg => plasticState(ph)%state (15*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nmembers)
stt%v => plasticState(ph)%state (11*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers)
st0%v => plasticState(ph)%state0 (11*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers)
stt%v_edg_pos => plasticState(ph)%state (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nmembers)
stt%v_edg_neg => plasticState(ph)%state (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nmembers)
stt%v_scr_pos => plasticState(ph)%state (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nmembers)
stt%v_scr_neg => plasticState(ph)%state (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers)
allocate(dst%tau_pass(prm%sum_N_sl,Nmembers),source=0.0_pREAL)
allocate(dst%tau_back(prm%sum_N_sl,Nmembers),source=0.0_pREAL)
allocate(dst%rho_forest(prm%sum_N_sl,Nmembers),source=0.0_pREAL)
allocate(dst%max_dipole_height(2*prm%sum_N_sl,Nmembers),source=0.0_pREAL) ! edge and screw
allocate(dst%compatibility(2,maxval(param%sum_N_sl),maxval(param%sum_N_sl),nIPneighbors,Nmembers),source=0.0_pREAL)
end associate
@ -503,7 +503,6 @@ module function plastic_nonlocal_init() result(myPlasticity)
! BEGIN DEPRECATED----------------------------------------------------------------------------------
allocate(iRhoU(maxval(param%sum_N_sl),4,phases%length), source=0)
allocate(iV(maxval(param%sum_N_sl),4,phases%length), source=0)
allocate(iD(maxval(param%sum_N_sl),2,phases%length), source=0)
do ph = 1, phases%length
@ -518,20 +517,14 @@ module function plastic_nonlocal_init() result(myPlasticity)
iRhoU(s,t,ph) = l
end do
end do
l = l + (4+2+1+1)*param(ph)%sum_N_sl ! immobile(4), dipole(2), shear, forest
l = l + (4+2+1)*param(ph)%sum_N_sl ! immobile(4), dipole(2), shear
do t = 1,4
do s = 1,param(ph)%sum_N_sl
l = l + 1
iV(s,t,ph) = l
end do
end do
do t = 1,2
do s = 1,param(ph)%sum_N_sl
l = l + 1
iD(s,t,ph) = l
end do
end do
if (iD(param(ph)%sum_N_sl,2,ph) /= plasticState(ph)%sizeState) &
if (iV(param(ph)%sum_N_sl,4,ph) /= plasticState(ph)%sizeState) &
error stop 'state indices not properly set (nonlocal)'
end do
@ -602,7 +595,7 @@ module subroutine nonlocal_dependentState(ph, en)
nu = elastic_nu(ph,en,prm%isotropic_bound)
rho = getRho(ph,en)
stt%rho_forest(:,en) = matmul(prm%forestProjection_Edge, sum(abs(rho(:,edg)),2)) &
dst%rho_forest(:,en) = matmul(prm%forestProjection_Edge, sum(abs(rho(:,edg)),2)) &
+ matmul(prm%forestProjection_Screw,sum(abs(rho(:,scr)),2))
@ -612,7 +605,7 @@ module subroutine nonlocal_dependentState(ph, en)
myInteractionMatrix = prm%h_sl_sl &
* spread(( 1.0_pREAL - prm%f_F &
+ prm%f_F &
* log(0.35_pREAL * prm%b_sl * sqrt(max(stt%rho_forest(:,en),prm%rho_significant))) &
* log(0.35_pREAL * prm%b_sl * sqrt(max(dst%rho_forest(:,en),prm%rho_significant))) &
/ log(0.35_pREAL * prm%b_sl * 1e6_pREAL))**2,2,prm%sum_N_sl)
else
myInteractionMatrix = prm%h_sl_sl
@ -861,14 +854,14 @@ module subroutine plastic_nonlocal_deltaState(Mp,ph,en)
deltaDUpper ! change in maximum stable dipole distance for edges and screws
associate(prm => param(ph),dst => dependentState(ph),del => deltaState(ph))
associate(prm => param(ph),dst => dependentState(ph),del => deltaState(ph), stt=>state(ph))
mu = elastic_mu(ph,en,prm%isotropic_bound)
nu = elastic_nu(ph,en,prm%isotropic_bound)
!*** shortcut to state variables
forall (s = 1:prm%sum_N_sl, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),en)
forall (s = 1:prm%sum_N_sl, c = 1:2) dUpperOld(s,c) = plasticState(ph)%state(iD(s,c,ph),en)
v = reshape(stt%v(:,en),[prm%sum_N_sl,4])
dUpperOld = reshape(dst%max_dipole_height(:,en),[prm%sum_N_sl,2])
rho = getRho(ph,en)
rhoDip = rho(:,dip)
@ -915,7 +908,7 @@ module subroutine plastic_nonlocal_deltaState(Mp,ph,en)
/ (dUpperOld(s,c) - prm%minDipoleHeight(s,c))
forall (t=1:4) deltaRhoDipole2SingleStress(:,t) = -0.5_pREAL * deltaRhoDipole2SingleStress(:,(t-1)/2+9)
forall (s = 1:prm%sum_N_sl, c = 1:2) plasticState(ph)%state(iD(s,c,ph),en) = dUpper(s,c)
dst%max_dipole_height(:,en) = pack(dUpper,.true.)
plasticState(ph)%deltaState(:,en) = 0.0_pREAL
del%rho(:,en) = reshape(deltaRhoRemobilization + deltaRhoDipole2SingleStress, [10*prm%sum_N_sl])
@ -975,7 +968,8 @@ module subroutine nonlocal_dotState(Mp,timestep, &
return
end if
associate(prm => param(ph), dst => dependentState(ph), dot => dotState(ph), stt => state(ph))
associate(prm => param(ph), dst => dependentState(ph), dot => dotState(ph), &
stt => state(ph), st0 => state0(ph))
mu = elastic_mu(ph,en,prm%isotropic_bound)
nu = elastic_nu(ph,en,prm%isotropic_bound)
@ -990,11 +984,10 @@ module subroutine nonlocal_dotState(Mp,timestep, &
rho0 = getRho0(ph,en)
my_rhoSgl0 = rho0(:,sgl)
forall (s = 1:prm%sum_N_sl, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),en)
v = reshape(stt%v(:,en),[prm%sum_N_sl,4])
dot_gamma = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
! limits for stable dipole height
do s = 1,prm%sum_N_sl
tau(s) = math_tensordot(Mp, prm%P_sl(1:3,1:3,s)) + dst%tau_back(s,en)
@ -1018,20 +1011,20 @@ module subroutine nonlocal_dotState(Mp,timestep, &
isBCC: if (phase_lattice(ph) == 'cI') then
forall (s = 1:prm%sum_N_sl, sum(abs(v(s,1:4))) > 0.0_pREAL)
rhoDotMultiplication(s,1:2) = sum(abs(dot_gamma(s,3:4))) / prm%b_sl(s) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(stt%rho_forest(s,en)) / prm%i_sl(s) ! & ! mean free path
* sqrt(dst%rho_forest(s,en)) / prm%i_sl(s) ! & ! mean free path
! * 2.0_pREAL * sum(abs(v(s,3:4))) / sum(abs(v(s,1:4))) ! ratio of screw to overall velocity determines edge generation
rhoDotMultiplication(s,3:4) = sum(abs(dot_gamma(s,3:4))) /prm%b_sl(s) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(stt%rho_forest(s,en)) / prm%i_sl(s) ! & ! mean free path
* sqrt(dst%rho_forest(s,en)) / prm%i_sl(s) ! & ! mean free path
! * 2.0_pREAL * sum(abs(v(s,1:2))) / sum(abs(v(s,1:4))) ! ratio of edge to overall velocity determines screw generation
endforall
else isBCC
rhoDotMultiplication(:,1:4) = spread( &
(sum(abs(dot_gamma(:,1:2)),2) * prm%f_ed_mult + sum(abs(dot_gamma(:,3:4)),2)) &
* sqrt(stt%rho_forest(:,en)) / prm%i_sl / prm%b_sl, 2, 4) ! eq. 3.26
* sqrt(dst%rho_forest(:,en)) / prm%i_sl / prm%b_sl, 2, 4) ! eq. 3.26
end if isBCC
forall (s = 1:prm%sum_N_sl, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),en)
v0 = reshape(st0%v(:,en),[prm%sum_N_sl,4])
!****************************************************************************
@ -1074,7 +1067,7 @@ module subroutine nonlocal_dotState(Mp,timestep, &
if (phase_lattice(ph) == 'cF') &
forall (s = 1:prm%sum_N_sl, prm%colinearSystem(s) > 0) &
rhoDotAthermalAnnihilation(prm%colinearSystem(s),1:2) = - rhoDotAthermalAnnihilation(s,10) &
* 0.25_pREAL * sqrt(stt%rho_forest(s,en)) * (dUpper(s,2) + dLower(s,2)) * prm%f_ed
* 0.25_pREAL * sqrt(dst%rho_forest(s,en)) * (dUpper(s,2) + dLower(s,2)) * prm%f_ed
! thermally activated annihilation of edge dipoles by climb
@ -1171,7 +1164,8 @@ function rhoDotFlux(timestep,ph,en)
associate(prm => param(ph), &
dst => dependentState(ph), &
stt => state(ph))
stt => state(ph), &
st0 => state0(ph))
ns = prm%sum_N_sl
dot_gamma = 0.0_pREAL
@ -1181,10 +1175,10 @@ function rhoDotFlux(timestep,ph,en)
rho0 = getRho0(ph,en)
my_rhoSgl0 = rho0(:,sgl)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),en) !ToDo: MD: I think we should use state0 here
v = reshape(stt%v(:,en),[prm%sum_N_sl,4]) !ToDo: MD: I think we should use state0 here
dot_gamma = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),en)
v0 = reshape(st0%v(:,en),[prm%sum_N_sl,4])
!****************************************************************************
!*** calculate dislocation fluxes (only for nonlocal plasticity)
@ -1491,7 +1485,7 @@ module subroutine plastic_nonlocal_result(ph,group)
call result_writeDataset(stt%rho_dip_scr,group,trim(prm%output(ou)), &
'screw dipole density','1/m²', prm%systems_sl)
case('rho_f')
call result_writeDataset(stt%rho_forest,group,trim(prm%output(ou)), &
call result_writeDataset(dst%rho_forest,group,trim(prm%output(ou)), &
'forest density','1/m²', prm%systems_sl)
case('v_ed_pos')
call result_writeDataset(stt%v_edg_pos,group,trim(prm%output(ou)), &