Merge branch 'misc-improvements' into 'development'
Misc improvements See merge request damask/DAMASK!302
This commit is contained in:
Sharan Roongta
commit
6cc78cb41e
|
|
@ -1,6 +1,18 @@
|
|||
########################################################################################
|
||||
# Compiler options for building DAMASK
|
||||
cmake_minimum_required (VERSION 3.10.0 FATAL_ERROR)
|
||||
cmake_minimum_required (VERSION 3.10.0)
|
||||
include (FindPkgConfig REQUIRED)
|
||||
|
||||
# Dummy project to determine compiler names and version
|
||||
project (Prerequisites LANGUAGES)
|
||||
set(ENV{PKG_CONFIG_PATH} "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/pkgconfig")
|
||||
pkg_search_module (PETSC REQUIRED PETSc>3.12.0)
|
||||
pkg_get_variable (CMAKE_Fortran_COMPILER PETSc fcompiler)
|
||||
pkg_get_variable (CMAKE_C_COMPILER PETSc ccompiler)
|
||||
|
||||
find_program (CAT_EXECUTABLE NAMES cat)
|
||||
execute_process (COMMAND ${CAT_EXECUTABLE} ${PROJECT_SOURCE_DIR}/VERSION
|
||||
RESULT_VARIABLE DAMASK_VERSION_RETURN
|
||||
OUTPUT_VARIABLE DAMASK_VERSION
|
||||
OUTPUT_STRIP_TRAILING_WHITESPACE)
|
||||
|
||||
#---------------------------------------------------------------------------------------
|
||||
# Find PETSc from system environment
|
||||
|
|
@ -28,19 +40,10 @@ include ${petsc_conf_rules}
|
|||
include ${petsc_conf_variables}
|
||||
INCLUDE_DIRS := \${PETSC_FC_INCLUDES}
|
||||
LIBRARIES := \${PETSC_WITH_EXTERNAL_LIB}
|
||||
COMPILERF := \${FC}
|
||||
COMPILERC := \${CC}
|
||||
LINKERNAME := \${FLINKER}
|
||||
includes:
|
||||
\t@echo \${INCLUDE_DIRS}
|
||||
extlibs:
|
||||
\t@echo \${LIBRARIES}
|
||||
compilerf:
|
||||
\t@echo \${COMPILERF}
|
||||
compilerc:
|
||||
\t@echo \${COMPILERC}
|
||||
linker:
|
||||
\t@echo \${LINKERNAME}
|
||||
")
|
||||
|
||||
# CMake will execute each target in the ${petsc_config_makefile}
|
||||
|
|
@ -52,26 +55,10 @@ execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_conf
|
|||
OUTPUT_VARIABLE petsc_includes
|
||||
OUTPUT_STRIP_TRAILING_WHITESPACE)
|
||||
# Find the PETSc external linking directory settings
|
||||
# required for final linking, must be appended after the executable
|
||||
execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "extlibs"
|
||||
RESULT_VARIABLE PETSC_EXTERNAL_LIB_RETURN
|
||||
OUTPUT_VARIABLE petsc_external_lib
|
||||
OUTPUT_STRIP_TRAILING_WHITESPACE)
|
||||
# PETSc specified fortran compiler
|
||||
execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "compilerf"
|
||||
RESULT_VARIABLE PETSC_MPIFC_RETURN
|
||||
OUTPUT_VARIABLE PETSC_MPIFC
|
||||
OUTPUT_STRIP_TRAILING_WHITESPACE)
|
||||
# PETSc specified C compiler
|
||||
execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "compilerc"
|
||||
RESULT_VARIABLE PETSC_MPICC_RETURN
|
||||
OUTPUT_VARIABLE PETSC_MPICC
|
||||
OUTPUT_STRIP_TRAILING_WHITESPACE)
|
||||
# PETSc specified linker (Fortran compiler + PETSc linking flags)
|
||||
execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "linker"
|
||||
RESULT_VARIABLE PETSC_LINKER_RETURN
|
||||
OUTPUT_VARIABLE PETSC_LINKER
|
||||
OUTPUT_STRIP_TRAILING_WHITESPACE)
|
||||
# Remove temporary makefile, no need to keep it anymore.
|
||||
file (REMOVE_RECURSE ${TEMPDIR})
|
||||
|
||||
|
|
@ -90,14 +77,6 @@ endforeach (exlib)
|
|||
message ("Found PETSC_DIR:\n${PETSC_DIR}\n" )
|
||||
message ("Found PETSC_INCLUDES:\n${PETSC_INCLUDES}\n" )
|
||||
message ("Found PETSC_EXTERNAL_LIB:\n${PETSC_EXTERNAL_LIB}\n")
|
||||
message ("Found PETSC_LINKER:\n${PETSC_LINKER}\n" )
|
||||
message ("Found MPI Fortran Compiler:\n${PETSC_MPIFC}\n" )
|
||||
message ("Found MPI C Compiler:\n${PETSC_MPICC}\n" )
|
||||
|
||||
# set compiler commands to match PETSc (needs to be done before defining the project)
|
||||
# https://cmake.org/Wiki/CMake_FAQ#How_do_I_use_a_different_compiler.3F
|
||||
set (CMAKE_Fortran_COMPILER "${PETSC_MPIFC}")
|
||||
set (CMAKE_C_COMPILER "${PETSC_MPICC}")
|
||||
|
||||
#---------------------------------------------------------------------------------------
|
||||
# Now start to care about DAMASK
|
||||
|
|
@ -105,17 +84,18 @@ set (CMAKE_C_COMPILER "${PETSC_MPICC}")
|
|||
# DAMASK solver defines project to build
|
||||
string(TOLOWER ${DAMASK_SOLVER} DAMASK_SOLVER)
|
||||
if (DAMASK_SOLVER STREQUAL "grid")
|
||||
project (damask-grid Fortran C)
|
||||
project (damask-grid HOMEPAGE_URL https://damask.mpie.de LANGUAGES Fortran C)
|
||||
add_definitions (-DGrid)
|
||||
message ("Building Grid Solver\n")
|
||||
elseif (DAMASK_SOLVER STREQUAL "mesh")
|
||||
project (damask-mesh Fortran C)
|
||||
project (damask-mesh HOMEPAGE_URL https://damask.mpie.de LANGUAGES Fortran C)
|
||||
add_definitions (-DMesh)
|
||||
message ("Building Mesh Solver\n")
|
||||
else ()
|
||||
message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined")
|
||||
endif ()
|
||||
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
|
||||
add_definitions (-DDAMASKVERSION="${DAMASK_VERSION}")
|
||||
add_definitions (-DPETSc)
|
||||
|
||||
message ("\nBuilding ${CMAKE_PROJECT_NAME}\n")
|
||||
|
||||
if (CMAKE_BUILD_TYPE STREQUAL "")
|
||||
set (CMAKE_BUILD_TYPE "RELEASE")
|
||||
|
|
@ -153,17 +133,8 @@ if (CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
|
|||
set (BUILDCMD_POST "${BUILDCMD_POST} -fsyntax-only")
|
||||
endif ()
|
||||
|
||||
# Parse DAMASK version from VERSION file
|
||||
find_program (CAT_EXECUTABLE NAMES cat)
|
||||
execute_process (COMMAND ${CAT_EXECUTABLE} ${PROJECT_SOURCE_DIR}/VERSION
|
||||
RESULT_VARIABLE DAMASK_VERSION_RETURN
|
||||
OUTPUT_VARIABLE DAMASK_V
|
||||
OUTPUT_STRIP_TRAILING_WHITESPACE)
|
||||
add_definitions (-DDAMASKVERSION="${DAMASK_V}")
|
||||
|
||||
# definition of other macros
|
||||
add_definitions (-DPETSc)
|
||||
|
||||
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
|
||||
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
|
||||
include (Compiler-Intel)
|
||||
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
|
||||
|
|
@ -174,9 +145,8 @@ else ()
|
|||
message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized")
|
||||
endif ()
|
||||
|
||||
|
||||
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}")
|
||||
set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${PETSC_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
|
||||
set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${CMAKE_Fortran_COMPILER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
|
||||
|
||||
if (CMAKE_BUILD_TYPE STREQUAL "DEBUG")
|
||||
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}")
|
||||
|
|
|
|||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
|||
Subproject commit de65e1df5a76362de93667e9820dbf330b56f96d
|
||||
Subproject commit e1a1048e1f593683b4b432d41455bd236008c3ad
|
||||
|
|
@ -20,7 +20,7 @@ endif ()
|
|||
|
||||
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
|
||||
# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
|
||||
set (STANDARD_CHECK "-stand f15 -standard-semantics -assume nostd_mod_proc_name")
|
||||
set (STANDARD_CHECK "-stand f18 -standard-semantics -assume nostd_mod_proc_name")
|
||||
set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
|
||||
# Link against shared Intel libraries instead of static ones
|
||||
|
||||
|
|
|
|||
|
|
@ -21,6 +21,9 @@ class NiceDumper(yaml.SafeDumper):
|
|||
return self.represent_data(dict(data)) if isinstance(data, dict) and type(data) != dict else \
|
||||
super().represent_data(data)
|
||||
|
||||
def ignore_aliases(self, data):
|
||||
"""No references."""
|
||||
return True
|
||||
|
||||
class Config(dict):
|
||||
"""YAML-based configuration."""
|
||||
|
|
|
|||
|
|
@ -22,7 +22,7 @@ class TestTable:
|
|||
|
||||
@pytest.mark.parametrize('N',[10,40])
|
||||
def test_len(self,N):
|
||||
len(Table(np.random.rand(N,3),{'X':3})) == N
|
||||
assert len(Table(np.random.rand(N,3),{'X':3})) == N
|
||||
|
||||
def test_get_scalar(self,default):
|
||||
d = default.get('s')
|
||||
|
|
|
|||
|
|
@ -10,7 +10,7 @@
|
|||
!> and working directory.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
#define PETSC_MAJOR 3
|
||||
#define PETSC_MINOR_MIN 10
|
||||
#define PETSC_MINOR_MIN 12
|
||||
#define PETSC_MINOR_MAX 14
|
||||
|
||||
module DAMASK_interface
|
||||
|
|
@ -392,7 +392,7 @@ end function makeRelativePath
|
|||
subroutine catchSIGTERM(signal) bind(C)
|
||||
|
||||
integer(C_INT), value :: signal
|
||||
interface_SIGTERM = .true.
|
||||
call interface_setSIGTERM(.true.)
|
||||
|
||||
print'(a,i0,a)', ' received signal ',signal, ', set SIGTERM=TRUE'
|
||||
|
||||
|
|
@ -417,7 +417,7 @@ end subroutine interface_setSIGTERM
|
|||
subroutine catchSIGUSR1(signal) bind(C)
|
||||
|
||||
integer(C_INT), value :: signal
|
||||
interface_SIGUSR1 = .true.
|
||||
call interface_setSIGUSR1(.true.)
|
||||
|
||||
print'(a,i0,a)', ' received signal ',signal, ', set SIGUSR1=TRUE'
|
||||
|
||||
|
|
@ -442,7 +442,7 @@ end subroutine interface_setSIGUSR1
|
|||
subroutine catchSIGUSR2(signal) bind(C)
|
||||
|
||||
integer(C_INT), value :: signal
|
||||
interface_SIGUSR2 = .true.
|
||||
call interface_setSIGUSR2(.true.)
|
||||
|
||||
print'(a,i0,a)', ' received signal ',signal, ', set SIGUSR2=TRUE'
|
||||
|
||||
|
|
|
|||
|
|
@ -203,8 +203,7 @@ function grid_damage_spectral_solution(timeinc) result(solution)
|
|||
call VecMax(solution_vec,devNull,phi_max,ierr); CHKERRQ(ierr)
|
||||
if (solution%converged) &
|
||||
print'(/,a)', ' ... nonlocal damage converged .....................................'
|
||||
write(IO_STDOUT,'(/,a,f8.6,2x,f8.6,2x,e11.4,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
|
||||
phi_min, phi_max, stagNorm
|
||||
print'(/,a,f8.6,2x,f8.6,2x,e11.4)', ' Minimum|Maximum|Delta Damage = ', phi_min, phi_max, stagNorm
|
||||
print'(/,a)', ' ==========================================================================='
|
||||
flush(IO_STDOUT)
|
||||
|
||||
|
|
|
|||
|
|
@ -509,11 +509,10 @@ subroutine formResidual(da_local,x_local, &
|
|||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
|
||||
if (debugRotation) &
|
||||
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
if (debugRotation) print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(IO_STDOUT)
|
||||
endif newIteration
|
||||
|
||||
|
|
|
|||
|
|
@ -471,11 +471,10 @@ subroutine formResidual(in, F, &
|
|||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
|
||||
if(debugRotation) &
|
||||
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
if (debugRotation) print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(IO_STDOUT)
|
||||
endif newIteration
|
||||
|
||||
|
|
|
|||
|
|
@ -552,11 +552,10 @@ subroutine formResidual(in, FandF_tau, &
|
|||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
|
||||
if (debugRotation) &
|
||||
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
if (debugRotation) print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(IO_STDOUT)
|
||||
endif newIteration
|
||||
|
||||
|
|
|
|||
|
|
@ -197,8 +197,7 @@ function grid_thermal_spectral_solution(timeinc) result(solution)
|
|||
call VecMax(solution_vec,devNull,T_max,ierr); CHKERRQ(ierr)
|
||||
if (solution%converged) &
|
||||
print'(/,a)', ' ... thermal conduction converged ..................................'
|
||||
write(IO_STDOUT,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
|
||||
T_min, T_max, stagNorm
|
||||
print'(/,a,f8.4,2x,f8.4,2x,f8.4)', ' Minimum|Maximum|Delta Temperature / K = ', T_min, T_max, stagNorm
|
||||
print'(/,a)', ' ==========================================================================='
|
||||
flush(IO_STDOUT)
|
||||
|
||||
|
|
|
|||
|
|
@ -688,8 +688,8 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
|
||||
if(debugGeneral) then
|
||||
print'(/,a)', ' ... updating masked compliance ............................................'
|
||||
write(IO_STDOUT,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C (load) / GPa =',&
|
||||
transpose(temp99_Real)*1.0e-9_pReal
|
||||
print'(/,a,/,8(9(2x,f12.7,1x)/),9(2x,f12.7,1x))', &
|
||||
' Stiffness C (load) / GPa =', transpose(temp99_Real)*1.0e-9_pReal
|
||||
flush(IO_STDOUT)
|
||||
endif
|
||||
|
||||
|
|
@ -709,9 +709,8 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
if (debugGeneral .or. errmatinv) then
|
||||
write(formatString, '(i2)') size_reduced
|
||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||
write(IO_STDOUT,trim(formatString),advance='no') ' C * S (load) ', &
|
||||
transpose(matmul(c_reduced,s_reduced))
|
||||
write(IO_STDOUT,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
|
||||
print trim(formatString), ' C * S (load) ', transpose(matmul(c_reduced,s_reduced))
|
||||
print trim(formatString), ' S (load) ', transpose(s_reduced)
|
||||
if(errmatinv) error stop 'matrix inversion error'
|
||||
endif
|
||||
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pReal),[9,9])
|
||||
|
|
@ -722,7 +721,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
utilities_maskedCompliance = math_99to3333(temp99_Real)
|
||||
|
||||
if(debugGeneral) then
|
||||
write(IO_STDOUT,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
|
||||
print'(/,a,/,9(9(2x,f10.5,1x)/),9(2x,f10.5,1x))', &
|
||||
' Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
|
||||
flush(IO_STDOUT)
|
||||
endif
|
||||
|
|
@ -818,13 +817,11 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
|||
P = reshape(homogenization_P, [3,3,grid(1),grid(2),grid3])
|
||||
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
|
||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
if (debugRotation) &
|
||||
write(IO_STDOUT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
||||
transpose(P_av)*1.e-6_pReal
|
||||
if(present(rotation_BC)) &
|
||||
P_av = rotation_BC%rotate(P_av)
|
||||
write(IO_STDOUT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||
transpose(P_av)*1.e-6_pReal
|
||||
if (debugRotation) print'(/,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
' Piola--Kirchhoff stress (lab) / MPa =', transpose(P_av)*1.e-6_pReal
|
||||
if(present(rotation_BC)) P_av = rotation_BC%rotate(P_av)
|
||||
print'(/,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
' Piola--Kirchhoff stress / MPa =', transpose(P_av)*1.e-6_pReal
|
||||
flush(IO_STDOUT)
|
||||
|
||||
dPdF_max = 0.0_pReal
|
||||
|
|
|
|||
|
|
@ -176,7 +176,7 @@ subroutine material_init(restart)
|
|||
|
||||
if (.not. restart) then
|
||||
call results_openJobFile
|
||||
call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,material_name_phase)
|
||||
call results_mapping_phase(material_phaseAt,material_phaseMemberAt,material_name_phase)
|
||||
call results_mapping_homogenization(material_homogenizationAt,material_homogenizationMemberAt,material_name_homogenization)
|
||||
call results_closeJobFile
|
||||
endif
|
||||
|
|
|
|||
|
|
@ -146,14 +146,9 @@ subroutine FEM_mech_init(fieldBC)
|
|||
call PetscFESetQuadrature(mechFE,mechQuad,ierr); CHKERRQ(ierr)
|
||||
call PetscFEGetDimension(mechFE,nBasis,ierr); CHKERRQ(ierr)
|
||||
nBasis = nBasis/nc
|
||||
#if (PETSC_VERSION_MINOR > 10)
|
||||
call DMAddField(mech_mesh,PETSC_NULL_DMLABEL,mechFE,ierr); CHKERRQ(ierr)
|
||||
call DMCreateDS(mech_mesh,ierr); CHKERRQ(ierr)
|
||||
#endif
|
||||
call DMGetDS(mech_mesh,mechDS,ierr); CHKERRQ(ierr)
|
||||
#if (PETSC_VERSION_MINOR < 11)
|
||||
call PetscDSAddDiscretization(mechDS,mechFE,ierr); CHKERRQ(ierr)
|
||||
#endif
|
||||
call PetscDSGetTotalDimension(mechDS,cellDof,ierr); CHKERRQ(ierr)
|
||||
call PetscFEDestroy(mechFE,ierr); CHKERRQ(ierr)
|
||||
call PetscQuadratureDestroy(mechQuad,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -162,11 +157,7 @@ subroutine FEM_mech_init(fieldBC)
|
|||
! Setup FEM mech boundary conditions
|
||||
call DMGetLabel(mech_mesh,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
|
||||
call DMPlexLabelComplete(mech_mesh,BCLabel,ierr); CHKERRQ(ierr)
|
||||
#if (PETSC_VERSION_MINOR < 12)
|
||||
call DMGetSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
#else
|
||||
call DMGetLocalSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
#endif
|
||||
allocate(pnumComp(1), source=dimPlex)
|
||||
allocate(pnumDof(0:dimPlex), source = 0)
|
||||
do topologDim = 0, dimPlex
|
||||
|
|
@ -204,14 +195,8 @@ subroutine FEM_mech_init(fieldBC)
|
|||
endif
|
||||
endif
|
||||
enddo; enddo
|
||||
#if (PETSC_VERSION_MINOR < 11)
|
||||
call DMPlexCreateSection(mech_mesh,dimPlex,1,pNumComp,pNumDof, &
|
||||
numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS,section,ierr)
|
||||
#else
|
||||
call DMPlexCreateSection(mech_mesh,nolabel,pNumComp,pNumDof, &
|
||||
numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS,section,ierr)
|
||||
|
||||
#endif
|
||||
CHKERRQ(ierr)
|
||||
call DMSetSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
do faceSet = 1, numBC
|
||||
|
|
@ -266,11 +251,7 @@ subroutine FEM_mech_init(fieldBC)
|
|||
x_scal(basis+1:basis+dimPlex) = pV0 + matmul(transpose(cellJMat),nodalPointsP + 1.0_pReal)
|
||||
enddo
|
||||
px_scal => x_scal
|
||||
#if (PETSC_VERSION_MINOR < 11)
|
||||
call DMPlexVecSetClosure(mech_mesh,section,solution_local,cell,px_scal,INSERT_ALL_VALUES,ierr)
|
||||
#else
|
||||
call DMPlexVecSetClosure(mech_mesh,section,solution_local,cell,px_scal,5,ierr) ! PETSc: cbee0a90b60958e5c50c89b1e41f4451dfa6008c
|
||||
#endif
|
||||
call DMPlexVecSetClosure(mech_mesh,section,solution_local,cell,px_scal,5,ierr)
|
||||
CHKERRQ(ierr)
|
||||
enddo
|
||||
|
||||
|
|
@ -353,11 +334,7 @@ subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
|
|||
allocate(pinvcellJ(dimPlex**2))
|
||||
allocate(x_scal(cellDof))
|
||||
|
||||
#if (PETSC_VERSION_MINOR < 12)
|
||||
call DMGetSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
#else
|
||||
call DMGetLocalSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
#endif
|
||||
call DMGetDS(dm_local,prob,ierr); CHKERRQ(ierr)
|
||||
call PetscDSGetTabulation(prob,0,basisField,basisFieldDer,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
|
@ -500,11 +477,7 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
|
|||
call MatZeroEntries(Jac,ierr); CHKERRQ(ierr)
|
||||
call DMGetDS(dm_local,prob,ierr); CHKERRQ(ierr)
|
||||
call PetscDSGetTabulation(prob,0,basisField,basisFieldDer,ierr)
|
||||
#if (PETSC_VERSION_MINOR < 12)
|
||||
call DMGetSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
#else
|
||||
call DMGetLocalSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
#endif
|
||||
call DMGetGlobalSection(dm_local,gSection,ierr); CHKERRQ(ierr)
|
||||
|
||||
call DMGetLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -684,8 +657,8 @@ subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dumm
|
|||
print'(/,1x,a,a,i0,a,i0,f0.3)', trim(incInfo), &
|
||||
' @ Iteration ',PETScIter,' mechanical residual norm = ', &
|
||||
int(fnorm/divTol),fnorm/divTol-int(fnorm/divTol)
|
||||
write(IO_STDOUT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||
transpose(P_av)*1.e-6_pReal
|
||||
print'(/,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
' Piola--Kirchhoff stress / MPa =',transpose(P_av)*1.e-6_pReal
|
||||
flush(IO_STDOUT)
|
||||
|
||||
end subroutine FEM_mech_converged
|
||||
|
|
|
|||
169
src/results.f90
169
src/results.f90
|
|
@ -49,7 +49,7 @@ module results
|
|||
results_setLink, &
|
||||
results_addAttribute, &
|
||||
results_removeLink, &
|
||||
results_mapping_constituent, &
|
||||
results_mapping_phase, &
|
||||
results_mapping_homogenization
|
||||
contains
|
||||
|
||||
|
|
@ -461,7 +461,7 @@ end subroutine results_writeTensorDataset_int
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief adds the unique mapping from spatial position and constituent ID to results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
|
||||
subroutine results_mapping_phase(phaseAt,memberAtLocal,label)
|
||||
|
||||
integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element)
|
||||
integer, dimension(:,:,:), intent(in) :: memberAtLocal !< phase member at (constituent,IP,element)
|
||||
|
|
@ -491,6 +491,47 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
|
|||
integer(SIZE_T) :: type_size_string, type_size_int
|
||||
integer :: hdferr, ierr, i
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! prepare MPI communication (transparent for non-MPI runs)
|
||||
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
memberOffset = 0
|
||||
do i=1, size(label)
|
||||
memberOffset(i,worldrank) = count(phaseAt == i)*size(memberAtLocal,2) ! number of points/instance of this process
|
||||
enddo
|
||||
writeSize = 0
|
||||
writeSize(worldrank) = size(memberAtLocal(1,:,:)) ! total number of points by this process
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! MPI settings and communication
|
||||
#ifdef PETSc
|
||||
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process
|
||||
if(ierr /= 0) error stop 'MPI error'
|
||||
|
||||
call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process
|
||||
if(ierr /= 0) error stop 'MPI error'
|
||||
#endif
|
||||
|
||||
myShape = int([size(phaseAt,1),writeSize(worldrank)], HSIZE_T)
|
||||
myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T)
|
||||
totalShape = int([size(phaseAt,1),sum(writeSize)], HSIZE_T)
|
||||
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! expand phaseAt to consider IPs (is not stored per IP)
|
||||
do i = 1, size(phaseAtMaterialpoint,2)
|
||||
phaseAtMaterialpoint(:,i,:) = phaseAt
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! renumber member from my process to all processes
|
||||
do i = 1, size(label)
|
||||
where(phaseAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) -1 ! convert to 0-based
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! compound type: name of phase section + position/index within results array
|
||||
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, hdferr)
|
||||
|
|
@ -525,34 +566,6 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
|
|||
call h5tclose_f(dt_id, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! prepare MPI communication (transparent for non-MPI runs)
|
||||
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
memberOffset = 0
|
||||
do i=1, size(label)
|
||||
memberOffset(i,worldrank) = count(phaseAt == i)*size(memberAtLocal,2) ! number of points/instance of this process
|
||||
enddo
|
||||
writeSize = 0
|
||||
writeSize(worldrank) = size(memberAtLocal(1,:,:)) ! total number of points by this process
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! MPI settings and communication
|
||||
#ifdef PETSc
|
||||
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process
|
||||
if(ierr /= 0) error stop 'MPI error'
|
||||
|
||||
call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process
|
||||
if(ierr /= 0) error stop 'MPI error'
|
||||
#endif
|
||||
|
||||
myShape = int([size(phaseAt,1),writeSize(worldrank)], HSIZE_T)
|
||||
myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T)
|
||||
totalShape = int([size(phaseAt,1),sum(writeSize)], HSIZE_T)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! create dataspace in memory (local shape = hyperslab) and in file (global shape)
|
||||
call h5screate_simple_f(2,myShape,memspace_id,hdferr,myShape)
|
||||
|
|
@ -564,18 +577,6 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
|
|||
call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! expand phaseAt to consider IPs (is not stored per IP)
|
||||
do i = 1, size(phaseAtMaterialpoint,2)
|
||||
phaseAtMaterialpoint(:,i,:) = phaseAt
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! renumber member from my process to all processes
|
||||
do i = 1, size(label)
|
||||
where(phaseAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) -1 ! convert to 0-based
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write the components of the compound type individually
|
||||
call h5pset_preserve_f(plist_id, .TRUE., hdferr)
|
||||
|
|
@ -609,7 +610,7 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
|
|||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
call h5tclose_f(position_id, hdferr)
|
||||
|
||||
end subroutine results_mapping_constituent
|
||||
end subroutine results_mapping_phase
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -645,6 +646,48 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
|
|||
integer(SIZE_T) :: type_size_string, type_size_int
|
||||
integer :: hdferr, ierr, i
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! prepare MPI communication (transparent for non-MPI runs)
|
||||
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
memberOffset = 0
|
||||
do i=1, size(label)
|
||||
memberOffset(i,worldrank) = count(homogenizationAt == i)*size(memberAtLocal,1) ! number of points/instance of this process
|
||||
enddo
|
||||
writeSize = 0
|
||||
writeSize(worldrank) = size(memberAtLocal) ! total number of points by this process
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! MPI settings and communication
|
||||
#ifdef PETSc
|
||||
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process
|
||||
if(ierr /= 0) error stop 'MPI error'
|
||||
|
||||
call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process
|
||||
if(ierr /= 0) error stop 'MPI error'
|
||||
#endif
|
||||
|
||||
myShape = int([writeSize(worldrank)], HSIZE_T)
|
||||
myOffset = int([sum(writeSize(0:worldrank-1))], HSIZE_T)
|
||||
totalShape = int([sum(writeSize)], HSIZE_T)
|
||||
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! expand phaseAt to consider IPs (is not stored per IP)
|
||||
do i = 1, size(homogenizationAtMaterialpoint,1)
|
||||
homogenizationAtMaterialpoint(i,:) = homogenizationAt
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! renumber member from my process to all processes
|
||||
do i = 1, size(label)
|
||||
where(homogenizationAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) - 1 ! convert to 0-based
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! compound type: name of phase section + position/index within results array
|
||||
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, hdferr)
|
||||
|
|
@ -679,34 +722,6 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
|
|||
call h5tclose_f(dt_id, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! prepare MPI communication (transparent for non-MPI runs)
|
||||
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
memberOffset = 0
|
||||
do i=1, size(label)
|
||||
memberOffset(i,worldrank) = count(homogenizationAt == i)*size(memberAtLocal,1) ! number of points/instance of this process
|
||||
enddo
|
||||
writeSize = 0
|
||||
writeSize(worldrank) = size(memberAtLocal) ! total number of points by this process
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! MPI settings and communication
|
||||
#ifdef PETSc
|
||||
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process
|
||||
if(ierr /= 0) error stop 'MPI error'
|
||||
|
||||
call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process
|
||||
if(ierr /= 0) error stop 'MPI error'
|
||||
#endif
|
||||
|
||||
myShape = int([writeSize(worldrank)], HSIZE_T)
|
||||
myOffset = int([sum(writeSize(0:worldrank-1))], HSIZE_T)
|
||||
totalShape = int([sum(writeSize)], HSIZE_T)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! create dataspace in memory (local shape = hyperslab) and in file (global shape)
|
||||
call h5screate_simple_f(1,myShape,memspace_id,hdferr,myShape)
|
||||
|
|
@ -718,18 +733,6 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
|
|||
call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! expand phaseAt to consider IPs (is not stored per IP)
|
||||
do i = 1, size(homogenizationAtMaterialpoint,1)
|
||||
homogenizationAtMaterialpoint(i,:) = homogenizationAt
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! renumber member from my process to all processes
|
||||
do i = 1, size(label)
|
||||
where(homogenizationAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) - 1 ! convert to 0-based
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write the components of the compound type individually
|
||||
call h5pset_preserve_f(plist_id, .TRUE., hdferr)
|
||||
|
|
|
|||
Loading…
Reference in New Issue