Merge branch 'development' into 23_BasticPETSc_2_PETSc
This commit is contained in:
commit
c79a0d39c0
|
@ -51,24 +51,24 @@ variables:
|
|||
# ++++++++++++ Compiler ++++++++++++++++++++++++++++++++++++++++++++++
|
||||
IntelCompiler16_0: "Compiler/Intel/16.0 Libraries/IMKL/2016"
|
||||
IntelCompiler17_0: "Compiler/Intel/17.0 Libraries/IMKL/2017"
|
||||
IntelCompiler18_1: "Compiler/Intel/18.1 Libraries/IMKL/2018"
|
||||
GNUCompiler5_3: "Compiler/GNU/5.3"
|
||||
# ------------ Defaults ----------------------------------------------
|
||||
IntelCompiler: "$IntelCompiler17_0"
|
||||
IntelCompiler: "$IntelCompiler18_1"
|
||||
GNUCompiler: "$GNUCompiler5_3"
|
||||
# ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++
|
||||
MPICH3_2Intel17_0: "MPI/Intel/17.0/MPICH/3.2"
|
||||
MPICH3_2GNU5_3: "MPI/GNU/5.3/MPICH/3.2"
|
||||
MPICH3_2Intel18_1: "MPI/Intel/18.1/MPICH/3.2.1"
|
||||
MPICH3_2GNU5_3: "MPI/GNU/5.3/MPICH/3.2.1"
|
||||
# ------------ Defaults ----------------------------------------------
|
||||
MPICH_GNU: "$MPICH3_2GNU5_3"
|
||||
MPICH_Intel: "$MPICH3_2Intel17_0"
|
||||
MPICH_Intel: "$MPICH3_2Intel18_1"
|
||||
# ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++
|
||||
PETSc3_7_6MPICH3_2Intel17_0: "Libraries/PETSc/3.7.6/Intel-17.0-MPICH-3.2"
|
||||
PETSc3_7_5MPICH3_2Intel17_0: "Libraries/PETSc/3.7.5/Intel-17.0-MPICH-3.2"
|
||||
PETSc3_6_4MPICH3_2Intel17_0: "Libraries/PETSc/3.6.4/Intel-17.0-MPICH-3.2"
|
||||
PETSc3_7_5MPICH3_2GNU5_3: "Libraries/PETSc/3.7.5/GNU-5.3-MPICH-3.2"
|
||||
PETSc3_9_1MPICH3_2Intel18_1: "Libraries/PETSc/3.9.1/Intel-18.1-MPICH-3.2.1"
|
||||
PETSc3_9_1MPICH3_2GNU5_3: "Libraries/PETSc/3.9.1/GNU-5.3-MPICH-3.2.1"
|
||||
# ------------ Defaults ----------------------------------------------
|
||||
PETSc_MPICH_Intel: "$PETSc3_7_6MPICH3_2Intel17_0"
|
||||
PETSc_MPICH_GNU: "$PETSc3_7_5MPICH3_2GNU5_3"
|
||||
PETSc_MPICH_Intel: "$PETSc3_9_1MPICH3_2Intel18_1"
|
||||
PETSc_MPICH_GNU: "$PETSc3_9_1MPICH3_2GNU5_3"
|
||||
# ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
|
||||
Abaqus2016: "FEM/Abaqus/2016"
|
||||
Abaqus2017: "FEM/Abaqus/2017"
|
||||
|
@ -324,6 +324,13 @@ HybridIA:
|
|||
- master
|
||||
- release
|
||||
|
||||
TextureComponents:
|
||||
stage: spectral
|
||||
script: TextureComponents/test.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
###################################################################################################
|
||||
Marc_compileIfort2014:
|
||||
stage: compileMarc2014
|
||||
|
|
|
@ -203,7 +203,9 @@ if (${CMAKE_Fortran_COMPILER_ID} STREQUAL "Intel")
|
|||
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
|
||||
endif ()
|
||||
|
||||
set (STANDARD_CHECK "-stand f08 -standard-semantics")
|
||||
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
|
||||
# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
|
||||
set (STANDARD_CHECK "-stand f08 -standard-semantics -assume nostd_mod_proc_name")
|
||||
set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
|
||||
# Link against shared Intel libraries instead of static ones
|
||||
|
||||
|
@ -215,13 +217,6 @@ if (${CMAKE_Fortran_COMPILER_ID} STREQUAL "Intel")
|
|||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz")
|
||||
# flush underflow to zero, automatically set if -O[1,2,3]
|
||||
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -assume")
|
||||
# assume ...
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} byterecl")
|
||||
# ... record length is given in bytes (also set by -standard-semantics)
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS},fpe_summary")
|
||||
# ... print list of floating point exceptions occured during execution
|
||||
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
|
||||
# disables warnings ...
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
|
||||
|
|
|
@ -1 +0,0 @@
|
|||
env/DAMASK.csh
|
|
@ -1 +0,0 @@
|
|||
env/DAMASK.sh
|
|
@ -1 +0,0 @@
|
|||
env/DAMASK.zsh
|
|
@ -23,7 +23,7 @@ if which $1 &> /dev/null; then
|
|||
$1 $2
|
||||
echo -e '\n'
|
||||
else
|
||||
echo $ does not exist
|
||||
echo $1 not found
|
||||
fi
|
||||
}
|
||||
|
||||
|
|
2
PRIVATE
2
PRIVATE
|
@ -1 +1 @@
|
|||
Subproject commit d3210425fcfd82673beffef5402049bd2954955c
|
||||
Subproject commit bdcb4fdb26100a986c4cf224fe8bbd6f866934c9
|
|
@ -26,14 +26,16 @@ fortCmd = "ifort"
|
|||
# -ftz flush underflow to zero
|
||||
# -diag-disable 5268 disable warnings about line length > 132 (only comments there anyway)
|
||||
# -implicitnone assume no implicit types (e.g. i for integer)
|
||||
# -assume byterecl count record length in bytes
|
||||
# -standard-semantics sets standard (Fortran 2008) and some other conventions
|
||||
# -assume nostd_mod_proc_name avoid problems with libraries compiled without that option
|
||||
# -real-size 64 -DFLOAT=8 assume size of real to be 8 bytes, matches our definition of pReal
|
||||
# -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt
|
||||
|
||||
compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " +
|
||||
"-I%I -free -O1 -fpp -openmp " +
|
||||
"-ftz -diag-disable 5268 " +
|
||||
"-implicitnone -assume byterecl -stand f08 -standard-semantics " +
|
||||
"-implicitnone -standard-semantics " +
|
||||
"-assume nostd_mod_proc_name " +
|
||||
"-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " +
|
||||
'-DDAMASKVERSION=\\\"%s\\\"'%DAMASKVERSION)
|
||||
|
||||
|
|
|
@ -19,21 +19,22 @@ fortCmd = "ifort"
|
|||
# -free to use free-format FORTRAN 90 syntax
|
||||
# -O <0-3> optimization level
|
||||
# -fpp use FORTRAN preprocessor on source code
|
||||
# -openmp build with openMP support
|
||||
# -w90 -w95 suppress messages about use of non-standard Fortran (previous version of abaqus_v6.env only)
|
||||
# -WB turn a compile-time bounds check into a warning (previous version of abaqus_v6.env only)
|
||||
# -mP2OPT_hpo_vec_divbyzero=F inofficial compiler switch, proposed by abaqus but highly dubios (previous version of abaqus_v6.env only)
|
||||
# -ftz flush underflow to zero
|
||||
# -diag-disable 5268 disable warnings about line length > 132 (only comments there anyway)
|
||||
# -implicitnone assume no implicit types (e.g. i for integer)
|
||||
# -assume byterecl count record length in bytes
|
||||
# -standard-semantics sets standard (Fortran 2008) and some other conventions
|
||||
# -assume nostd_mod_proc_name avoid problems with libraries compiled without that option
|
||||
# -real-size 64 -DFLOAT=8 assume size of real to be 8 bytes, matches our definition of pReal
|
||||
# -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt
|
||||
|
||||
compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " +
|
||||
"-I%I -free -O1 -fpp " +
|
||||
"-ftz -diag-disable 5268 " +
|
||||
"-implicitnone -assume byterecl -stand f08 -standard-semantics " +
|
||||
"-implicitnone -standard-semantics " +
|
||||
"-assume nostd_mod_proc_name " +
|
||||
"-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " +
|
||||
'-DDAMASKVERSION=\\\"%s\\\"'%DAMASKVERSION)
|
||||
|
||||
|
|
|
@ -416,7 +416,7 @@ then
|
|||
PROFILE=" $PROFILE -pg"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -mp1 -WB"
|
||||
FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr -mp1 -WB"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -openmp"
|
||||
|
@ -458,21 +458,21 @@ DAMASKVERSION="'"$DAMASKVERSION"'"
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
|
@ -492,21 +492,21 @@ then
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
|
|
|
@ -410,7 +410,7 @@ then
|
|||
PROFILE="-prof-gen=srcpos"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -mp1 -WB"
|
||||
FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -openmp"
|
||||
|
@ -452,21 +452,21 @@ DAMASKVERSION="'"$DAMASKVERSION"'"
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
|
@ -486,21 +486,21 @@ then
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
|
|
|
@ -419,7 +419,7 @@ then
|
|||
PROFILE=" $PROFILE -pg"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -mp1 -WB"
|
||||
FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -openmp"
|
||||
|
@ -454,21 +454,21 @@ fi
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
|
@ -488,21 +488,21 @@ then
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-openmp -openmp_report2 -openmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
|
|
|
@ -449,7 +449,7 @@ then
|
|||
PROFILE=" $PROFILE -pg"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||
FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp"
|
||||
|
@ -484,21 +484,21 @@ fi
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
|
@ -518,21 +518,21 @@ then
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
|
|
|
@ -457,7 +457,7 @@ then
|
|||
PROFILE=" $PROFILE -pg"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||
FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp"
|
||||
|
@ -494,21 +494,21 @@ fi
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
@ -528,21 +528,21 @@ then
|
|||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
|
|
@ -16,7 +16,7 @@ The Intel Fortran compiler needs to be installed.
|
|||
|
||||
APPENDIX:
|
||||
|
||||
The structure of this directory should be (VERSION = 2010.2 or 2011 or 2012 or 2013 or 2014):
|
||||
The structure of this directory should be (VERSION = 20XX or 20XX.Y)
|
||||
|
||||
./installation.txt this text
|
||||
./apply_MPIE_modifications script file to apply modifications to the installation
|
||||
|
|
|
@ -74,6 +74,7 @@ add_library (PLASTIC OBJECT
|
|||
"plastic_disloUCLA.f90"
|
||||
"plastic_isotropic.f90"
|
||||
"plastic_phenopowerlaw.f90"
|
||||
"plastic_kinematichardening.f90"
|
||||
"plastic_nonlocal.f90"
|
||||
"plastic_none.f90")
|
||||
add_dependencies(PLASTIC DAMASK_HELPERS)
|
||||
|
|
|
@ -162,6 +162,7 @@ subroutine CPFEM_init
|
|||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
flush(6)
|
||||
endif mainProcess
|
||||
|
||||
! initialize stress and jacobian to zero
|
||||
|
@ -242,8 +243,8 @@ subroutine CPFEM_init
|
|||
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
|
||||
write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
|
||||
write(6,'(a32,l1)') 'symmetricSolver: ', symmetricSolver
|
||||
endif
|
||||
flush(6)
|
||||
endif
|
||||
|
||||
end subroutine CPFEM_init
|
||||
|
||||
|
|
|
@ -12,6 +12,8 @@ program DAMASK_spectral
|
|||
compiler_version, &
|
||||
compiler_options
|
||||
#endif
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
use PETScsys
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pLongInt, &
|
||||
|
@ -70,7 +72,6 @@ program DAMASK_spectral
|
|||
DAMAGE_nonlocal_ID
|
||||
use spectral_utilities, only: &
|
||||
utilities_init, &
|
||||
utilities_destroy, &
|
||||
tSolutionState, &
|
||||
tLoadCase, &
|
||||
cutBack, &
|
||||
|
@ -84,11 +85,8 @@ program DAMASK_spectral
|
|||
use spectral_damage
|
||||
use spectral_thermal
|
||||
|
||||
|
||||
implicit none
|
||||
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables related to information from load case and geom file
|
||||
real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
|
||||
|
@ -143,18 +141,11 @@ program DAMASK_spectral
|
|||
integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
|
||||
integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
|
||||
integer(pLongInt), dimension(2) :: outputIndex
|
||||
PetscErrorCode :: ierr
|
||||
integer :: ierr
|
||||
|
||||
external :: &
|
||||
quit, &
|
||||
MPI_file_open, &
|
||||
MPI_file_close, &
|
||||
MPI_file_seek, &
|
||||
MPI_file_get_position, &
|
||||
MPI_file_write, &
|
||||
MPI_abort, &
|
||||
MPI_finalize, &
|
||||
MPI_allreduce, &
|
||||
PETScFinalize
|
||||
quit
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init DAMASK (all modules)
|
||||
|
@ -442,10 +433,9 @@ program DAMASK_spectral
|
|||
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
|
||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
call MPI_file_write(resUnit, &
|
||||
reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
|
||||
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
|
||||
[(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
|
||||
(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt), &
|
||||
int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)), &
|
||||
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
|
||||
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
|
||||
enddo
|
||||
|
@ -635,7 +625,7 @@ program DAMASK_spectral
|
|||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
|
||||
[(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
|
||||
(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt),&
|
||||
int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)),&
|
||||
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
|
||||
enddo
|
||||
|
@ -682,22 +672,12 @@ end program DAMASK_spectral
|
|||
!> stderr. Exit code 3 signals no severe problems, but some increments did not converge
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine quit(stop_id)
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
use MPI
|
||||
use prec, only: &
|
||||
pInt
|
||||
use spectral_mech_Basic, only: &
|
||||
Basic_destroy
|
||||
use spectral_mech_Polarisation, only: &
|
||||
Polarisation_destroy
|
||||
use spectral_damage, only: &
|
||||
spectral_damage_destroy
|
||||
use spectral_thermal, only: &
|
||||
spectral_thermal_destroy
|
||||
use spectral_utilities, only: &
|
||||
utilities_destroy
|
||||
|
||||
implicit none
|
||||
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
integer(pInt), intent(in) :: stop_id
|
||||
integer, dimension(8) :: dateAndTime ! type default integer
|
||||
integer(pInt) :: error = 0_pInt
|
||||
|
@ -705,14 +685,7 @@ subroutine quit(stop_id)
|
|||
logical :: ErrorInQuit
|
||||
|
||||
external :: &
|
||||
PETScFinalize, &
|
||||
MPI_finalize
|
||||
|
||||
call Basic_destroy()
|
||||
call Polarisation_destroy()
|
||||
call spectral_damage_destroy()
|
||||
call spectral_thermal_destroy()
|
||||
call utilities_destroy()
|
||||
PETScFinalize
|
||||
|
||||
call PETScFinalize(ierr)
|
||||
if (ierr /= 0) write(6,'(a)') ' Error in PETScFinalize'
|
||||
|
|
|
@ -28,6 +28,7 @@
|
|||
#include "plastic_none.f90"
|
||||
#include "plastic_isotropic.f90"
|
||||
#include "plastic_phenopowerlaw.f90"
|
||||
#include "plastic_kinematichardening.f90"
|
||||
#include "plastic_dislotwin.f90"
|
||||
#include "plastic_disloUCLA.f90"
|
||||
#include "plastic_nonlocal.f90"
|
||||
|
|
|
@ -74,6 +74,7 @@ subroutine constitutive_init()
|
|||
PLASTICITY_none_ID, &
|
||||
PLASTICITY_isotropic_ID, &
|
||||
PLASTICITY_phenopowerlaw_ID, &
|
||||
PLASTICITY_kinehardening_ID, &
|
||||
PLASTICITY_dislotwin_ID, &
|
||||
PLASTICITY_disloucla_ID, &
|
||||
PLASTICITY_nonlocal_ID ,&
|
||||
|
@ -95,6 +96,7 @@ subroutine constitutive_init()
|
|||
PLASTICITY_NONE_label, &
|
||||
PLASTICITY_ISOTROPIC_label, &
|
||||
PLASTICITY_PHENOPOWERLAW_label, &
|
||||
PLASTICITY_KINEHARDENING_label, &
|
||||
PLASTICITY_DISLOTWIN_label, &
|
||||
PLASTICITY_DISLOUCLA_label, &
|
||||
PLASTICITY_NONLOCAL_label, &
|
||||
|
@ -113,6 +115,7 @@ subroutine constitutive_init()
|
|||
use plastic_none
|
||||
use plastic_isotropic
|
||||
use plastic_phenopowerlaw
|
||||
use plastic_kinehardening
|
||||
use plastic_dislotwin
|
||||
use plastic_disloucla
|
||||
use plastic_nonlocal
|
||||
|
@ -156,6 +159,7 @@ subroutine constitutive_init()
|
|||
if (any(phase_plasticity == PLASTICITY_NONE_ID)) call plastic_none_init
|
||||
if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init(FILEUNIT)
|
||||
if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init(FILEUNIT)
|
||||
if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init(FILEUNIT)
|
||||
if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init(FILEUNIT)
|
||||
if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init(FILEUNIT)
|
||||
if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then
|
||||
|
@ -214,6 +218,11 @@ subroutine constitutive_init()
|
|||
thisNoutput => plastic_phenopowerlaw_Noutput
|
||||
thisOutput => plastic_phenopowerlaw_output
|
||||
thisSize => plastic_phenopowerlaw_sizePostResult
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
outputName = PLASTICITY_KINEHARDENING_label
|
||||
thisNoutput => plastic_kinehardening_Noutput
|
||||
thisOutput => plastic_kinehardening_output
|
||||
thisSize => plastic_kinehardening_sizePostResult
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
outputName = PLASTICITY_DISLOTWIN_label
|
||||
thisNoutput => plastic_dislotwin_Noutput
|
||||
|
@ -472,6 +481,7 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v
|
|||
PLASTICITY_NONE_ID, &
|
||||
PLASTICITY_ISOTROPIC_ID, &
|
||||
PLASTICITY_PHENOPOWERLAW_ID, &
|
||||
PLASTICITY_KINEHARDENING_ID, &
|
||||
PLASTICITY_DISLOTWIN_ID, &
|
||||
PLASTICITY_DISLOUCLA_ID, &
|
||||
PLASTICITY_NONLOCAL_ID
|
||||
|
@ -479,6 +489,8 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v
|
|||
plastic_isotropic_LpAndItsTangent
|
||||
use plastic_phenopowerlaw, only: &
|
||||
plastic_phenopowerlaw_LpAndItsTangent
|
||||
use plastic_kinehardening, only: &
|
||||
plastic_kinehardening_LpAndItsTangent
|
||||
use plastic_dislotwin, only: &
|
||||
plastic_dislotwin_LpAndItsTangent
|
||||
use plastic_disloucla, only: &
|
||||
|
@ -525,6 +537,8 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v
|
|||
call plastic_isotropic_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticityType
|
||||
call plastic_nonlocal_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v, &
|
||||
temperature(ho)%p(tme),ip,el)
|
||||
|
@ -717,7 +731,7 @@ end function constitutive_initialFi
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
|
||||
!> the elastic deformation gradient depending on the selected elastic law (so far no case switch
|
||||
!! because only hooke is implemented
|
||||
!! because only Hooke is implemented
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine constitutive_TandItsTangent(T, dT_dFe, dT_dFi, Fe, Fi, ipc, ip, el)
|
||||
use prec, only: &
|
||||
|
@ -844,6 +858,7 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
|
|||
PLASTICITY_none_ID, &
|
||||
PLASTICITY_isotropic_ID, &
|
||||
PLASTICITY_phenopowerlaw_ID, &
|
||||
PLASTICITY_kinehardening_ID, &
|
||||
PLASTICITY_dislotwin_ID, &
|
||||
PLASTICITY_disloucla_ID, &
|
||||
PLASTICITY_nonlocal_ID, &
|
||||
|
@ -855,6 +870,8 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
|
|||
plastic_isotropic_dotState
|
||||
use plastic_phenopowerlaw, only: &
|
||||
plastic_phenopowerlaw_dotState
|
||||
use plastic_kinehardening, only: &
|
||||
plastic_kinehardening_dotState
|
||||
use plastic_dislotwin, only: &
|
||||
plastic_dislotwin_dotState
|
||||
use plastic_disloucla, only: &
|
||||
|
@ -905,6 +922,8 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
|
|||
call plastic_isotropic_dotState (Tstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
call plastic_phenopowerlaw_dotState(Tstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_dotState(Tstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
call plastic_dislotwin_dotState (Tstar_v,temperature(ho)%p(tme), &
|
||||
ipc,ip,el)
|
||||
|
@ -959,10 +978,13 @@ subroutine constitutive_collectDeltaState(Tstar_v, Fe, ipc, ip, el)
|
|||
phase_source, &
|
||||
phase_Nsources, &
|
||||
material_phase, &
|
||||
PLASTICITY_KINEHARDENING_ID, &
|
||||
PLASTICITY_NONLOCAL_ID, &
|
||||
SOURCE_damage_isoBrittle_ID, &
|
||||
SOURCE_vacancy_irradiation_ID, &
|
||||
SOURCE_vacancy_thermalfluc_ID
|
||||
use plastic_kinehardening, only: &
|
||||
plastic_kinehardening_deltaState
|
||||
use plastic_nonlocal, only: &
|
||||
plastic_nonlocal_deltaState
|
||||
use source_damage_isoBrittle, only: &
|
||||
|
@ -991,9 +1013,12 @@ subroutine constitutive_collectDeltaState(Tstar_v, Fe, ipc, ip, el)
|
|||
if (iand(debug_level(debug_constitutive), debug_levelBasic) /= 0_pInt) &
|
||||
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
|
||||
|
||||
if(phase_plasticity(material_phase(ipc,ip,el)) == PLASTICITY_NONLOCAL_ID) &
|
||||
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_deltaState(Tstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticityType
|
||||
call plastic_nonlocal_deltaState(Tstar_v,ip,el)
|
||||
|
||||
end select plasticityType
|
||||
|
||||
SourceLoop: do s = 1_pInt, phase_Nsources(material_phase(ipc,ip,el))
|
||||
sourceType: select case (phase_source(s,material_phase(ipc,ip,el)))
|
||||
|
@ -1043,6 +1068,7 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
|
|||
PLASTICITY_NONE_ID, &
|
||||
PLASTICITY_ISOTROPIC_ID, &
|
||||
PLASTICITY_PHENOPOWERLAW_ID, &
|
||||
PLASTICITY_KINEHARDENING_ID, &
|
||||
PLASTICITY_DISLOTWIN_ID, &
|
||||
PLASTICITY_DISLOUCLA_ID, &
|
||||
PLASTICITY_NONLOCAL_ID, &
|
||||
|
@ -1054,6 +1080,8 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
|
|||
plastic_isotropic_postResults
|
||||
use plastic_phenopowerlaw, only: &
|
||||
plastic_phenopowerlaw_postResults
|
||||
use plastic_kinehardening, only: &
|
||||
plastic_kinehardening_postResults
|
||||
use plastic_dislotwin, only: &
|
||||
plastic_dislotwin_postResults
|
||||
use plastic_disloucla, only: &
|
||||
|
@ -1102,6 +1130,9 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
|
|||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_phenopowerlaw_postResults(Tstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_kinehardening_postResults(Tstar_v,ipc,ip,el)
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_dislotwin_postResults(Tstar_v,temperature(ho)%p(tme),ipc,ip,el)
|
||||
|
|
|
@ -986,7 +986,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
|
||||
!$OMP FLUSH(crystallite_todo)
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. c == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) then
|
||||
if (crystallite_todo(c,i,e)) then
|
||||
write(6,'(a,f12.8,a,i8,1x,i2,1x,i3,/)') '<< CRYST >> cutback step in crystallite_stressAndItsTangent &
|
||||
&with new crystallite_subStep: ',&
|
||||
|
@ -1042,16 +1044,25 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
endif timeSyncing2
|
||||
|
||||
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
|
||||
write(6,'(/,a,e12.5)') '<< CRYST >> min(subStep) ',minval(crystallite_subStep)
|
||||
write(6,'(a,e12.5)') '<< CRYST >> max(subStep) ',maxval(crystallite_subStep)
|
||||
write(6,'(a,e12.5)') '<< CRYST >> min(subFrac) ',minval(crystallite_subFrac)
|
||||
write(6,'(a,e12.5,/)') '<< CRYST >> max(subFrac) ',maxval(crystallite_subFrac)
|
||||
write(6,'(/,a,f8.5)') '<< CRYST >> min(subStep) ',minval(crystallite_subStep)
|
||||
write(6,'(a,f8.5)') '<< CRYST >> max(subStep) ',maxval(crystallite_subStep)
|
||||
write(6,'(a,f8.5)') '<< CRYST >> min(subFrac) ',minval(crystallite_subFrac)
|
||||
write(6,'(a,f8.5,/)') '<< CRYST >> max(subFrac) ',maxval(crystallite_subFrac)
|
||||
flush(6)
|
||||
if (iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt) then
|
||||
write(6,'(/,a,f8.5,1x,a,1x,f8.5,1x,a)') '<< CRYST >> subFrac + subStep = ',&
|
||||
crystallite_subFrac(debug_g,debug_i,debug_e),'+',crystallite_subStep(debug_g,debug_i,debug_e),'@selective'
|
||||
flush(6)
|
||||
endif
|
||||
endif
|
||||
|
||||
! --- integrate --- requires fully defined state array (basic + dependent state)
|
||||
|
||||
if (any(crystallite_todo)) then
|
||||
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
|
||||
write(6,'(/,a,i3)') '<< CRYST >> using state integrator ',numerics_integrator(numerics_integrationMode)
|
||||
flush(6)
|
||||
endif
|
||||
select case(numerics_integrator(numerics_integrationMode))
|
||||
case(1_pInt)
|
||||
call crystallite_integrateStateFPI()
|
||||
|
@ -2702,6 +2713,9 @@ subroutine crystallite_integrateStateFPI()
|
|||
|
||||
singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
|
||||
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
|
||||
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo at start of state integration'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize dotState
|
||||
if (.not. singleRun) then
|
||||
|
@ -2754,6 +2768,8 @@ subroutine crystallite_integrateStateFPI()
|
|||
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c)))
|
||||
enddo
|
||||
if (NaN) then ! NaN occured in any dotState
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
|
||||
write(6,*) '<< CRYST >> dotstate ',plasticState(p)%dotState(:,c)
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken)
|
||||
|
@ -2767,6 +2783,9 @@ subroutine crystallite_integrateStateFPI()
|
|||
!$OMP ENDDO
|
||||
|
||||
! --- UPDATE STATE ---
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
|
||||
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after preguess of state'
|
||||
|
||||
|
||||
!$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
|
@ -2822,6 +2841,9 @@ subroutine crystallite_integrateStateFPI()
|
|||
|
||||
! --- STRESS INTEGRATION ---
|
||||
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
|
||||
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo before stress integration'
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
!$OMP FLUSH(crystallite_todo)
|
||||
|
@ -2976,7 +2998,11 @@ subroutine crystallite_integrateStateFPI()
|
|||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,'(a,f6.1,/)') '<< CRYST >> plasticstatedamper ',plasticStatedamper
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> plastic state residuum',plasticStateResiduum(1:mySizePlasticDotState)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> plastic state residuum',&
|
||||
abs(plasticStateResiduum(1:mySizePlasticDotState))
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> abstol dotstate',plasticState(p)%aTolState(1:mySizePlasticDotState)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> reltol dotstate',rTol_crystalliteState* &
|
||||
abs(tempPlasticState(1:mySizePlasticDotState))
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state',tempPlasticState(1:mySizePlasticDotState)
|
||||
endif
|
||||
#endif
|
||||
|
@ -3036,7 +3062,7 @@ subroutine crystallite_integrateStateFPI()
|
|||
!$OMP END PARALLEL
|
||||
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
|
||||
write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
|
||||
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
|
||||
' grains converged after state integration #', NiterationState
|
||||
|
||||
|
||||
|
@ -3152,8 +3178,8 @@ logical function crystallite_stateJump(ipc,ip,el)
|
|||
write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', &
|
||||
plasticState(p)%state(myOffsetSourceDeltaState + 1_pInt : &
|
||||
myOffsetSourceDeltaState + mySizeSourceDeltaState,c)
|
||||
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
|
||||
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c)
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
@ -3330,7 +3356,6 @@ logical function crystallite_integrateStress(&
|
|||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress at el ip ipc ',el,ip,ipc
|
||||
#endif
|
||||
|
||||
|
||||
!* only integrate over fraction of timestep?
|
||||
|
||||
if (present(timeFraction)) then
|
||||
|
@ -3417,7 +3442,7 @@ logical function crystallite_integrateStress(&
|
|||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a,i3,a,i8,1x,a,i8,a,1x,i2,1x,i3,/)') '<< CRYST >> integrateStress reached loop limit',nStress, &
|
||||
' at el (elFE) ip ipc ', el,mesh_element(1,el),ip,ipc
|
||||
' at el (elFE) ip ipc ', el,'(',mesh_element(1,el),')',ip,ipc
|
||||
#endif
|
||||
return
|
||||
endif loopsExeced
|
||||
|
@ -3426,7 +3451,8 @@ logical function crystallite_integrateStress(&
|
|||
|
||||
B = math_I3 - dt*Lpguess
|
||||
Fe = math_mul33x33(math_mul33x33(A,B), invFi_new) ! current elastic deformation tensor
|
||||
call constitutive_TandItsTangent(Tstar, dT_dFe3333, dT_dFi3333, Fe, Fi_new, ipc, ip, el) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative in unloaded configuration
|
||||
call constitutive_TandItsTangent(Tstar, dT_dFe3333, dT_dFi3333, &
|
||||
Fe, Fi_new, ipc, ip, el) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative in unloaded configuration
|
||||
Tstar_v = math_Mandel33to6(Tstar)
|
||||
|
||||
!* calculate plastic velocity gradient and its tangent from constitutive law
|
||||
|
@ -3434,6 +3460,17 @@ logical function crystallite_integrateStress(&
|
|||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
|
||||
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
|
||||
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i3,/)') '<< CRYST >> stress iteration ', NiterationStressLp
|
||||
write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lpguess', math_transpose33(Lpguess)
|
||||
write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fi', math_transpose33(Fi_new)
|
||||
write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fe', math_transpose33(Fe)
|
||||
write(6,'(a,/,6(e20.10,1x))') '<< CRYST >> Tstar', Tstar_v
|
||||
endif
|
||||
#endif
|
||||
call constitutive_LpAndItsTangent(Lp_constitutive, dLp_dT3333, dLp_dFi3333, &
|
||||
Tstar_v, Fi_new, ipc, ip, el)
|
||||
|
||||
|
@ -3451,9 +3488,7 @@ logical function crystallite_integrateStress(&
|
|||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i3,/)') '<< CRYST >> stress iteration ', NiterationStressLp
|
||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lp_constitutive', math_transpose33(Lp_constitutive)
|
||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lpguess', math_transpose33(Lpguess)
|
||||
write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lp_constitutive', math_transpose33(Lp_constitutive)
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
@ -3483,6 +3518,13 @@ logical function crystallite_integrateStress(&
|
|||
else ! not converged and residuum not improved...
|
||||
steplengthLp = subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
|
||||
Lpguess = Lpguess_old + steplengthLp * deltaLp
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,1x,f7.4)') '<< CRYST >> linear search for Lpguess with step', steplengthLp
|
||||
endif
|
||||
#endif
|
||||
cycle LpLoop
|
||||
endif
|
||||
|
||||
|
@ -3496,6 +3538,16 @@ logical function crystallite_integrateStress(&
|
|||
dFe_dLp3333 = - dt * dFe_dLp3333
|
||||
dRLp_dLp = math_identity2nd(9_pInt) &
|
||||
- math_Plain3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dT3333,dT_dFe3333),dFe_dLp3333))
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST >> dLp_dT', math_Plain3333to99(dLp_dT3333)
|
||||
write(6,'(a,1x,e20.10)') '<< CRYST >> dLp_dT norm', norm2(math_Plain3333to99(dLp_dT3333))
|
||||
write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST >> dRLp_dLp', dRLp_dLp - math_identity2nd(9_pInt)
|
||||
write(6,'(a,1x,e20.10)') '<< CRYST >> dRLp_dLp norm', norm2(dRLp_dLp - math_identity2nd(9_pInt))
|
||||
endif
|
||||
#endif
|
||||
dRLp_dLp2 = dRLp_dLp ! will be overwritten in first call to LAPACK routine
|
||||
work = math_plain33to9(residuumLp)
|
||||
call dgesv(9,1,dRLp_dLp2,9,ipiv,work,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
|
||||
|
|
|
@ -443,13 +443,15 @@ subroutine debug_info
|
|||
write(6,'(a15,i10,1x,i10)') ' total',integral,sum(debug_MaterialpointLoopDistribution)
|
||||
endif debugOutputHomog
|
||||
|
||||
debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0) then
|
||||
write(6,'(2/,a,/)') ' Extreme values of returned stress and jacobian'
|
||||
debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0 &
|
||||
.and. any(debug_stressMinLocation /= 0_pInt) &
|
||||
.and. any(debug_stressMaxLocation /= 0_pInt) ) then
|
||||
write(6,'(2/,a,/)') ' Extreme values of returned stress and Jacobian'
|
||||
write(6,'(a39)') ' value el ip'
|
||||
write(6,'(a14,1x,e12.3,1x,i6,1x,i4)') ' stress min :', debug_stressMin, debug_stressMinLocation
|
||||
write(6,'(a14,1x,e12.3,1x,i6,1x,i4)') ' max :', debug_stressMax, debug_stressMaxLocation
|
||||
write(6,'(a14,1x,e12.3,1x,i6,1x,i4)') ' jacobian min :', debug_jacobianMin, debug_jacobianMinLocation
|
||||
write(6,'(a14,1x,e12.3,1x,i6,1x,i4,/)') ' max :', debug_jacobianMax, debug_jacobianMaxLocation
|
||||
write(6,'(a14,1x,e12.3,1x,i8,1x,i4)') ' stress min :', debug_stressMin, debug_stressMinLocation
|
||||
write(6,'(a14,1x,e12.3,1x,i8,1x,i4)') ' max :', debug_stressMax, debug_stressMaxLocation
|
||||
write(6,'(a14,1x,e12.3,1x,i8,1x,i4)') ' Jacobian min :', debug_jacobianMin, debug_jacobianMinLocation
|
||||
write(6,'(a14,1x,e12.3,1x,i8,1x,i4,/)') ' max :', debug_jacobianMax, debug_jacobianMaxLocation
|
||||
endif debugOutputCPFEM
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
|
|
|
@ -25,6 +25,7 @@ module material
|
|||
PLASTICITY_none_label = 'none', &
|
||||
PLASTICITY_isotropic_label = 'isotropic', &
|
||||
PLASTICITY_phenopowerlaw_label = 'phenopowerlaw', &
|
||||
PLASTICITY_kinehardening_label = 'kinehardening', &
|
||||
PLASTICITY_dislotwin_label = 'dislotwin', &
|
||||
PLASTICITY_disloucla_label = 'disloucla', &
|
||||
PLASTICITY_nonlocal_label = 'nonlocal', &
|
||||
|
@ -72,6 +73,7 @@ module material
|
|||
PLASTICITY_none_ID, &
|
||||
PLASTICITY_isotropic_ID, &
|
||||
PLASTICITY_phenopowerlaw_ID, &
|
||||
PLASTICITY_kinehardening_ID, &
|
||||
PLASTICITY_dislotwin_ID, &
|
||||
PLASTICITY_disloucla_ID, &
|
||||
PLASTICITY_nonlocal_ID
|
||||
|
@ -308,6 +310,7 @@ module material
|
|||
PLASTICITY_none_ID, &
|
||||
PLASTICITY_isotropic_ID, &
|
||||
PLASTICITY_phenopowerlaw_ID, &
|
||||
PLASTICITY_kinehardening_ID, &
|
||||
PLASTICITY_dislotwin_ID, &
|
||||
PLASTICITY_disloucla_ID, &
|
||||
PLASTICITY_nonlocal_ID, &
|
||||
|
@ -983,6 +986,8 @@ subroutine material_parsePhase(fileUnit,myPart)
|
|||
phase_plasticity(section) = PLASTICITY_ISOTROPIC_ID
|
||||
case (PLASTICITY_PHENOPOWERLAW_label)
|
||||
phase_plasticity(section) = PLASTICITY_PHENOPOWERLAW_ID
|
||||
case (PLASTICITY_KINEHARDENING_label)
|
||||
phase_plasticity(section) = PLASTICITY_KINEHARDENING_ID
|
||||
case (PLASTICITY_DISLOTWIN_label)
|
||||
phase_plasticity(section) = PLASTICITY_DISLOTWIN_ID
|
||||
case (PLASTICITY_DISLOUCLA_label)
|
||||
|
|
557
src/math.f90
557
src/math.f90
|
@ -74,6 +74,7 @@ module math
|
|||
public :: &
|
||||
math_init, &
|
||||
math_qsort, &
|
||||
math_expand, &
|
||||
math_range, &
|
||||
math_identity2nd, &
|
||||
math_identity4th, &
|
||||
|
@ -161,10 +162,8 @@ module math
|
|||
math_rotate_forward3333, &
|
||||
math_limit
|
||||
private :: &
|
||||
halton, &
|
||||
halton_memory, &
|
||||
halton_ndim_set, &
|
||||
halton_seed_set
|
||||
math_check, &
|
||||
halton
|
||||
|
||||
contains
|
||||
|
||||
|
@ -216,10 +215,6 @@ subroutine math_init
|
|||
write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest
|
||||
|
||||
call random_seed(put = randInit)
|
||||
|
||||
call halton_seed_set(int(randInit(1), pInt))
|
||||
call halton_ndim_set(3_pInt)
|
||||
|
||||
call math_check()
|
||||
|
||||
end subroutine math_init
|
||||
|
@ -283,7 +278,7 @@ subroutine math_check
|
|||
endif
|
||||
|
||||
! +++ check rotation sense of q and R +++
|
||||
call halton(3_pInt,v) ! random vector
|
||||
v = halton([2_pInt,8_pInt,5_pInt]) ! random vector
|
||||
R = math_qToR(q)
|
||||
if (any(abs(math_mul33x3(R,v) - math_qRot(q,v)) > tol_math_check)) then
|
||||
write (error_msg, '(a)' ) 'R(q)*v has different sense than q*v'
|
||||
|
@ -1237,7 +1232,7 @@ function math_qRand()
|
|||
real(pReal), dimension(4) :: math_qRand
|
||||
real(pReal), dimension(3) :: rnd
|
||||
|
||||
call halton(3_pInt,rnd)
|
||||
rnd = halton([8_pInt,4_pInt,9_pInt])
|
||||
math_qRand = [cos(2.0_pReal*PI*rnd(1))*sqrt(rnd(3)), &
|
||||
sin(2.0_pReal*PI*rnd(2))*sqrt(1.0_pReal-rnd(3)), &
|
||||
cos(2.0_pReal*PI*rnd(2))*sqrt(1.0_pReal-rnd(3)), &
|
||||
|
@ -1760,7 +1755,7 @@ function math_sampleRandomOri()
|
|||
implicit none
|
||||
real(pReal), dimension(3) :: math_sampleRandomOri, rnd
|
||||
|
||||
call halton(3_pInt,rnd)
|
||||
rnd = halton([1_pInt,7_pInt,3_pInt])
|
||||
math_sampleRandomOri = [rnd(1)*2.0_pReal*PI, &
|
||||
acos(2.0_pReal*rnd(2)-1.0_pReal), &
|
||||
rnd(3)*2.0_pReal*PI]
|
||||
|
@ -1769,118 +1764,96 @@ end function math_sampleRandomOri
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief draw a random sample from Gauss component with noise (in radians) half-width
|
||||
!> @brief draw a sample from an Gaussian distribution around given orientation and Full Width
|
||||
! at Half Maximum (FWHM)
|
||||
!> @details: A uniform misorientation (limited to 2*FWHM) is sampled followed by convolution with
|
||||
! a Gausian distribution
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function math_sampleGaussOri(center,noise)
|
||||
use prec, only: &
|
||||
tol_math_check
|
||||
function math_sampleGaussOri(center,FWHM)
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: noise
|
||||
real(pReal), intent(in) :: FWHM
|
||||
real(pReal), dimension(3), intent(in) :: center
|
||||
real(pReal) :: cosScatter,scatter
|
||||
real(pReal), dimension(3) :: math_sampleGaussOri, disturb
|
||||
real(pReal), dimension(3), parameter :: ORIGIN = 0.0_pReal
|
||||
real(pReal), dimension(5) :: rnd
|
||||
real(pReal) :: angle
|
||||
real(pReal), dimension(3) :: math_sampleGaussOri, axis
|
||||
real(pReal), dimension(4) :: rnd
|
||||
real(pReal), dimension(3,3) :: R
|
||||
|
||||
noScatter: if (abs(noise) < tol_math_check) then
|
||||
if (FWHM < 0.1_pReal*INRAD) then
|
||||
math_sampleGaussOri = center
|
||||
else noScatter
|
||||
! Helming uses different distribution with Bessel functions
|
||||
! therefore the gauss scatter width has to be scaled differently
|
||||
scatter = 0.95_pReal * noise
|
||||
cosScatter = cos(scatter)
|
||||
else
|
||||
GaussConvolution: do
|
||||
rnd = halton([8_pInt,3_pInt,6_pInt,11_pInt])
|
||||
axis(1) = rnd(1)*2.0_pReal-1.0_pReal ! uniform on [-1,1]
|
||||
axis(2:3) = [sqrt(1.0-axis(1)**2.0_pReal)*cos(rnd(2)*2.0*PI),&
|
||||
sqrt(1.0-axis(1)**2.0_pReal)*sin(rnd(2)*2.0*PI)] ! random axis
|
||||
angle = (rnd(3)-0.5_pReal)*4.0_pReal*FWHM ! rotation by [0, +-2 FWHM]
|
||||
R = math_axisAngleToR(axis,angle)
|
||||
angle = math_EulerMisorientation([0.0_pReal,0.0_pReal,0.0_pReal],math_RtoEuler(R))
|
||||
if (rnd(4) <= exp(-4.0_pReal*log(2.0_pReal)*(angle/FWHM)**2_pReal)) exit ! rejection sampling (Gaussian)
|
||||
enddo GaussConvolution
|
||||
math_sampleGaussOri = math_RtoEuler(math_mul33x33(R,math_EulerToR(center)))
|
||||
endif
|
||||
|
||||
do
|
||||
call halton(5_pInt,rnd)
|
||||
rnd(1:3) = 2.0_pReal*rnd(1:3)-1.0_pReal ! expand 1:3 to range [-1,+1]
|
||||
disturb = [ scatter * rnd(1), & ! phi1
|
||||
sign(1.0_pReal,rnd(2))*acos(cosScatter+(1.0_pReal-cosScatter)*rnd(4)), & ! Phi
|
||||
scatter * rnd(3)] ! phi2
|
||||
if (rnd(5) <= exp(-1.0_pReal*(math_EulerMisorientation(ORIGIN,disturb)/scatter)**2_pReal)) exit
|
||||
enddo
|
||||
|
||||
math_sampleGaussOri = math_RtoEuler(math_mul33x33(math_EulerToR(disturb),math_EulerToR(center)))
|
||||
endif noScatter
|
||||
|
||||
end function math_sampleGaussOri
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief draw a random sample from Fiber component with noise (in radians)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function math_sampleFiberOri(alpha,beta,noise)
|
||||
use prec, only: &
|
||||
tol_math_check
|
||||
!> @brief draw a sample from an Gaussian distribution around given fiber texture and Full Width
|
||||
! at Half Maximum (FWHM)
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
function math_sampleFiberOri(alpha,beta,FWHM)
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(3) :: math_sampleFiberOri, fiberInC,fiberInS,axis
|
||||
real(pReal), dimension(2), intent(in) :: alpha,beta
|
||||
real(pReal), dimension(6) :: rnd
|
||||
real(pReal), dimension(3,3) :: oRot,fRot,pRot
|
||||
real(pReal) :: noise, scatter, cos2Scatter, angle
|
||||
integer(pInt), dimension(2,3), parameter :: ROTMAP = reshape([2_pInt,3_pInt,&
|
||||
3_pInt,1_pInt,&
|
||||
1_pInt,2_pInt],[2,3])
|
||||
integer(pInt) :: i
|
||||
real(pReal), intent(in) :: FWHM
|
||||
real(pReal), dimension(3) :: math_sampleFiberOri, &
|
||||
fInC,& !< fiber axis in crystal coordinate system
|
||||
fInS,& !< fiber axis in sample coordinate system
|
||||
u
|
||||
real(pReal), dimension(3) :: rnd
|
||||
real(pReal), dimension(:),allocatable :: a !< 2D vector to tilt
|
||||
integer(pInt), dimension(:),allocatable :: idx !< components of 2D vector
|
||||
real(pReal), dimension(3,3) :: R !< Rotation matrix (composed of three components)
|
||||
real(pReal):: angle,c
|
||||
integer(pInt):: j,& !< index of smallest component
|
||||
i
|
||||
|
||||
! Helming uses different distribution with Bessel functions
|
||||
! therefore the gauss scatter width has to be scaled differently
|
||||
scatter = 0.95_pReal * noise
|
||||
cos2Scatter = cos(2.0_pReal*scatter)
|
||||
fInC = [sin(alpha(1))*cos(alpha(2)), sin(alpha(1))*sin(alpha(2)), cos(alpha(1))]
|
||||
fInS = [sin(beta(1))*cos(beta(2)), sin(beta(1))*sin(beta(2)), cos(beta(1))]
|
||||
|
||||
! fiber axis in crystal coordinate system
|
||||
fiberInC = [ sin(alpha(1))*cos(alpha(2)) , &
|
||||
sin(alpha(1))*sin(alpha(2)), &
|
||||
cos(alpha(1))]
|
||||
! fiber axis in sample coordinate system
|
||||
fiberInS = [ sin(beta(1))*cos(beta(2)), &
|
||||
sin(beta(1))*sin(beta(2)), &
|
||||
cos(beta(1))]
|
||||
R = math_EulerAxisAngleToR(math_crossproduct(fInC,fInS),-acos(dot_product(fInC,fInS))) !< rotation to align fiber axis in crystal and sample system
|
||||
|
||||
! ---# rotation matrix from sample to crystal system #---
|
||||
angle = -acos(dot_product(fiberInC,fiberInS))
|
||||
if(abs(angle) > tol_math_check) then
|
||||
! rotation axis between sample and crystal system (cross product)
|
||||
forall(i=1_pInt:3_pInt) axis(i) = fiberInC(ROTMAP(1,i))*fiberInS(ROTMAP(2,i))-fiberInC(ROTMAP(2,i))*fiberInS(ROTMAP(1,i))
|
||||
oRot = math_EulerAxisAngleToR(math_crossproduct(fiberInC,fiberInS),angle)
|
||||
rnd = halton([7_pInt,10_pInt,3_pInt])
|
||||
R = math_mul33x33(R,math_EulerAxisAngleToR(fInS,rnd(1)*2.0_pReal*PI)) !< additional rotation (0..360deg) perpendicular to fiber axis
|
||||
|
||||
if (FWHM > 0.1_pReal*INRAD) then
|
||||
reducedTo2D: do i=1_pInt,3_pInt
|
||||
if (i /= minloc(abs(fInS),1)) then
|
||||
a=[a,fInS(i)]
|
||||
idx=[idx,i]
|
||||
else
|
||||
oRot = math_I3
|
||||
j = i
|
||||
endif
|
||||
enddo reducedTo2D
|
||||
GaussConvolution: do
|
||||
angle = (rnd(2)-0.5_pReal)*4.0_pReal*FWHM ! rotation by [0, +-2 FWHM]
|
||||
! solve cos(angle) = dot_product(fInS,u) under the assumption that their smallest component is the same
|
||||
c = cos(angle)-fInS(j)**2
|
||||
u(idx(2)) = -(2.0_pReal*c*a(2) + sqrt(4*((c*a(2))**2-sum(a**2)*(c**2-a(1)**2*(1-fInS(j)**2)))))/&
|
||||
(2*sum(a**2))
|
||||
u(idx(1)) = sqrt(1-u(idx(2))**2-fInS(j)**2)
|
||||
u(j) = fInS(j)
|
||||
|
||||
! ---# rotation matrix about fiber axis (random angle) #---
|
||||
do
|
||||
call halton(6_pInt,rnd)
|
||||
fRot = math_EulerAxisAngleToR(fiberInS,rnd(1)*2.0_pReal*pi)
|
||||
|
||||
! ---# rotation about random axis perpend to fiber #---
|
||||
! random axis pependicular to fiber axis
|
||||
axis(1:2) = rnd(2:3)
|
||||
if (abs(fiberInS(3)) > tol_math_check) then
|
||||
axis(3)=-(axis(1)*fiberInS(1)+axis(2)*fiberInS(2))/fiberInS(3)
|
||||
else if(abs(fiberInS(2)) > tol_math_check) then
|
||||
axis(3)=axis(2)
|
||||
axis(2)=-(axis(1)*fiberInS(1)+axis(3)*fiberInS(3))/fiberInS(2)
|
||||
else if(abs(fiberInS(1)) > tol_math_check) then
|
||||
axis(3)=axis(1)
|
||||
axis(1)=-(axis(2)*fiberInS(2)+axis(3)*fiberInS(3))/fiberInS(1)
|
||||
end if
|
||||
|
||||
! scattered rotation angle
|
||||
if (noise > 0.0_pReal) then
|
||||
angle = acos(cos2Scatter+(1.0_pReal-cos2Scatter)*rnd(4))
|
||||
if (rnd(5) <= exp(-1.0_pReal*(angle/scatter)**2.0_pReal)) exit
|
||||
else
|
||||
angle = 0.0_pReal
|
||||
rejectionSampling: if (rnd(3) <= exp(-4.0_pReal*log(2.0_pReal)*(angle/FWHM)**2_pReal)) then
|
||||
R = math_mul33x33(R,math_EulerAxisAngleToR(math_crossproduct(u,fInS),angle)) ! tilt around direction of smallest component
|
||||
exit
|
||||
endif rejectionSampling
|
||||
rnd = halton([7_pInt,10_pInt,3_pInt])
|
||||
enddo GaussConvolution
|
||||
endif
|
||||
enddo
|
||||
if (rnd(6) <= 0.5) angle = -angle
|
||||
|
||||
pRot = math_EulerAxisAngleToR(axis,angle)
|
||||
|
||||
! ---# apply the three rotations #---
|
||||
math_sampleFiberOri = math_RtoEuler(math_mul33x33(pRot,math_mul33x33(fRot,oRot)))
|
||||
math_sampleFiberOri = math_RtoEuler(R)
|
||||
|
||||
end function math_sampleFiberOri
|
||||
|
||||
|
@ -1902,18 +1875,17 @@ real(pReal) function math_sampleGaussVar(meanvalue, stddev, width)
|
|||
|
||||
if (abs(stddev) < tol_math_check) then
|
||||
math_sampleGaussVar = meanvalue
|
||||
return
|
||||
endif
|
||||
|
||||
else
|
||||
myWidth = merge(width,3.0_pReal,present(width)) ! use +-3*sigma as default value for scatter if not given
|
||||
|
||||
do
|
||||
call halton(2_pInt, rnd)
|
||||
rnd = halton([6_pInt,2_pInt])
|
||||
scatter = myWidth * (2.0_pReal * rnd(1) - 1.0_pReal)
|
||||
if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) exit ! test if scattered value is drawn
|
||||
enddo
|
||||
|
||||
math_sampleGaussVar = scatter * stddev
|
||||
endif
|
||||
|
||||
end function math_sampleGaussVar
|
||||
|
||||
|
@ -2284,172 +2256,36 @@ pure function math_invariantsSym33(m)
|
|||
end function math_invariantsSym33
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief computes the next element in the Halton sequence.
|
||||
!> @author John Burkardt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine halton(ndim, r)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: ndim !< dimension of the element
|
||||
real(pReal), intent(out), dimension(ndim) :: r !< next element of the current Halton sequence
|
||||
integer(pInt), dimension(ndim) :: base
|
||||
integer(pInt) :: seed
|
||||
integer(pInt), dimension(1) :: value_halton
|
||||
|
||||
call halton_memory ('GET', 'SEED', 1_pInt, value_halton)
|
||||
seed = value_halton(1)
|
||||
|
||||
call halton_memory ('GET', 'BASE', ndim, base)
|
||||
|
||||
call i_to_halton (seed, base, ndim, r)
|
||||
|
||||
value_halton(1) = 1_pInt
|
||||
call halton_memory ('INC', 'SEED', 1_pInt, value_halton)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
contains
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
!> @brief computes an element of a Halton sequence.
|
||||
!> @details Only the absolute value of SEED is considered. SEED = 0 is allowed, and returns R = 0.
|
||||
!> @details Halton Bases should be distinct prime numbers. This routine only checks that each base
|
||||
!> @details is greater than 1.
|
||||
!> @author John Burkardt
|
||||
!> @author Martin Diehl
|
||||
!> @details Incrementally increasing elements of the Halton sequence for given bases (> 0)
|
||||
!> @details Reference:
|
||||
!> @details J.H. Halton: On the efficiency of certain quasi-random sequences of points in evaluating
|
||||
!> @details multi-dimensional integrals, Numerische Mathematik, Volume 2, pages 84-90, 1960.
|
||||
!> @author John Burkardt
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
subroutine i_to_halton (seed, base, ndim, r)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: &
|
||||
ndim, & !< dimension of the sequence
|
||||
seed !< index of the desired element
|
||||
integer(pInt), intent(in), dimension(ndim) :: base !< Halton bases
|
||||
real(pReal), intent(out), dimension(ndim) :: r !< the SEED-th element of the Halton sequence for the given bases
|
||||
|
||||
real(pReal), dimension(ndim) :: base_inv
|
||||
integer(pInt), dimension(ndim) :: &
|
||||
digit, &
|
||||
seed2
|
||||
|
||||
seed2 = abs(seed)
|
||||
r = 0.0_pReal
|
||||
|
||||
if (any (base(1:ndim) <= 1_pInt)) call IO_error(error_ID=405_pInt)
|
||||
|
||||
base_inv(1:ndim) = 1.0_pReal / real (base(1:ndim), pReal)
|
||||
|
||||
do while ( any ( seed2(1:ndim) /= 0_pInt) )
|
||||
digit(1:ndim) = mod ( seed2(1:ndim), base(1:ndim))
|
||||
r(1:ndim) = r(1:ndim) + real ( digit(1:ndim), pReal) * base_inv(1:ndim)
|
||||
base_inv(1:ndim) = base_inv(1:ndim) / real ( base(1:ndim), pReal)
|
||||
seed2(1:ndim) = seed2(1:ndim) / base(1:ndim)
|
||||
enddo
|
||||
|
||||
end subroutine i_to_halton
|
||||
|
||||
|
||||
end subroutine halton
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets or returns quantities associated with the Halton sequence.
|
||||
!> @details If action_halton is 'SET' and action_halton is 'BASE', then NDIM is input, and
|
||||
!> @details is the number of entries in value_halton to be put into BASE.
|
||||
!> @details If action_halton is 'SET', then on input, value_halton contains values to be assigned
|
||||
!> @details to the internal variable.
|
||||
!> @details If action_halton is 'GET', then on output, value_halton contains the values of
|
||||
!> @details the specified internal variable.
|
||||
!> @details If action_halton is 'INC', then on input, value_halton contains the increment to
|
||||
!> @details be added to the specified internal variable.
|
||||
!> @author John Burkardt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
|
||||
use IO, only: &
|
||||
IO_lc
|
||||
|
||||
implicit none
|
||||
character(len = *), intent(in) :: &
|
||||
action_halton, & !< desired action: GET the value of a particular quantity, SET the value of a particular quantity, INC the value of a particular quantity (only for SEED)
|
||||
name_halton !< name of the quantity: BASE: Halton base(s), NDIM: spatial dimension, SEED: current Halton seed
|
||||
integer(pInt), dimension(*), intent(inout) :: value_halton
|
||||
integer(pInt), allocatable, save, dimension(:) :: base
|
||||
logical, save :: first_call = .true.
|
||||
integer(pInt), intent(in) :: ndim !< dimension of the quantity
|
||||
integer(pInt), save :: ndim_save = 0_pInt, seed = 1_pInt
|
||||
integer(pInt) :: i
|
||||
|
||||
if (first_call) then
|
||||
ndim_save = 1_pInt
|
||||
allocate(base(ndim_save))
|
||||
base(1) = 2_pInt
|
||||
first_call = .false.
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Set
|
||||
actionHalton: if(IO_lc(action_halton(1:1)) == 's') then
|
||||
|
||||
nameSet: if(IO_lc(name_halton(1:1)) == 'b') then
|
||||
if(ndim_save /= ndim) ndim_save = ndim
|
||||
base = value_halton(1:ndim)
|
||||
elseif(IO_lc(name_halton(1:1)) == 'n') then nameSet
|
||||
if(ndim_save /= value_halton(1)) then
|
||||
ndim_save = value_halton(1)
|
||||
base = [(prime(i),i=1_pInt,ndim_save)]
|
||||
else
|
||||
ndim_save = value_halton(1)
|
||||
endif
|
||||
elseif(IO_lc(name_halton(1:1)) == 's') then nameSet
|
||||
seed = value_halton(1)
|
||||
endif nameSet
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Get
|
||||
elseif(IO_lc(action_halton(1:1)) == 'g') then actionHalton
|
||||
nameGet: if(IO_lc(name_halton(1:1)) == 'b') then
|
||||
if(ndim /= ndim_save) then
|
||||
ndim_save = ndim
|
||||
base = [(prime(i),i=1_pInt,ndim_save)]
|
||||
endif
|
||||
value_halton(1:ndim_save) = base(1:ndim_save)
|
||||
elseif(IO_lc(name_halton(1:1)) == 'n') then nameGet
|
||||
value_halton(1) = ndim_save
|
||||
elseif(IO_lc(name_halton(1:1)) == 's') then nameGet
|
||||
value_halton(1) = seed
|
||||
endif nameGet
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Increment
|
||||
elseif(IO_lc(action_halton(1:1)) == 'i') then actionHalton
|
||||
if(IO_lc(name_halton(1:1)) == 's') seed = seed + value_halton(1)
|
||||
endif actionHalton
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns any of the first 1500 prime numbers.
|
||||
!> @details n = 0 is legal, returning PRIME = 1.
|
||||
!> @details Reference:
|
||||
!> @details Reference for prime numbers:
|
||||
!> @details Milton Abramowitz and Irene Stegun: Handbook of Mathematical Functions,
|
||||
!> @details US Department of Commerce, 1964, pages 870-873.
|
||||
!> @details Daniel Zwillinger: CRC Standard Mathematical Tables and Formulae,
|
||||
!> @details 30th Edition, CRC Press, 1996, pages 95-98.
|
||||
!> @author John Burkardt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(pInt) function prime(n)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
function halton(bases)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: n !< index of the desired prime number
|
||||
integer(pInt), dimension(0:1500), parameter :: &
|
||||
npvec = int([&
|
||||
integer(pInt), intent(in), dimension(:):: &
|
||||
bases !< bases (prime number ID)
|
||||
real(pReal), dimension(size(bases)) :: &
|
||||
halton
|
||||
integer(pInt), save :: &
|
||||
current = 1_pInt
|
||||
real(pReal), dimension(size(bases)) :: &
|
||||
base_inv
|
||||
integer(pInt), dimension(size(bases)) :: &
|
||||
base, &
|
||||
t
|
||||
integer(pInt), dimension(0:1600), parameter :: &
|
||||
prime = int([&
|
||||
1, &
|
||||
2, 3, 5, 7, 11, 13, 17, 19, 23, 29, &
|
||||
31, 37, 41, 43, 47, 53, 59, 61, 67, 71, &
|
||||
|
@ -2596,7 +2432,7 @@ subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
|
|||
! 1301:1400
|
||||
10663, 10667, 10687, 10691, 10709, 10711, 10723, 10729, 10733, 10739, &
|
||||
10753, 10771, 10781, 10789, 10799, 10831, 10837, 10847, 10853, 10859, &
|
||||
10861, 10867, 10883, 10889, 10891, 10903, 10909, 19037, 10939, 10949, &
|
||||
10861, 10867, 10883, 10889, 10891, 10903, 10909, 10937, 10939, 10949, &
|
||||
10957, 10973, 10979, 10987, 10993, 11003, 11027, 11047, 11057, 11059, &
|
||||
11069, 11071, 11083, 11087, 11093, 11113, 11117, 11119, 11131, 11149, &
|
||||
11159, 11161, 11171, 11173, 11177, 11197, 11213, 11239, 11243, 11251, &
|
||||
|
@ -2614,58 +2450,34 @@ subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
|
|||
12227, 12239, 12241, 12251, 12253, 12263, 12269, 12277, 12281, 12289, &
|
||||
12301, 12323, 12329, 12343, 12347, 12373, 12377, 12379, 12391, 12401, &
|
||||
12409, 12413, 12421, 12433, 12437, 12451, 12457, 12473, 12479, 12487, &
|
||||
12491, 12497, 12503, 12511, 12517, 12527, 12539, 12541, 12547, 12553],pInt)
|
||||
12491, 12497, 12503, 12511, 12517, 12527, 12539, 12541, 12547, 12553, &
|
||||
! 1501:1600
|
||||
12569, 12577, 12583, 12589, 12601, 12611, 12613, 12619, 12637, 12641, &
|
||||
12647, 12653, 12659, 12671, 12689, 12697, 12703, 12713, 12721, 12739, &
|
||||
12743, 12757, 12763, 12781, 12791, 12799, 12809, 12821, 12823, 12829, &
|
||||
12841, 12853, 12889, 12893, 12899, 12907, 12911, 12917, 12919, 12923, &
|
||||
12941, 12953, 12959, 12967, 12973, 12979, 12983, 13001, 13003, 13007, &
|
||||
13009, 13033, 13037, 13043, 13049, 13063, 13093, 13099, 13103, 13109, &
|
||||
13121, 13127, 13147, 13151, 13159, 13163, 13171, 13177, 13183, 13187, &
|
||||
13217, 13219, 13229, 13241, 13249, 13259, 13267, 13291, 13297, 13309, &
|
||||
13313, 13327, 13331, 13337, 13339, 13367, 13381, 13397, 13399, 13411, &
|
||||
13417, 13421, 13441, 13451, 13457, 13463, 13469, 13477, 13487, 13499],pInt)
|
||||
|
||||
if (n < size(npvec)) then
|
||||
prime = npvec(n)
|
||||
else
|
||||
call IO_error(error_ID=406_pInt)
|
||||
end if
|
||||
current = current + 1_pInt
|
||||
|
||||
end function prime
|
||||
base = prime(bases)
|
||||
base_inv = 1.0_pReal/real(base,pReal)
|
||||
|
||||
end subroutine halton_memory
|
||||
halton = 0.0_pReal
|
||||
t = current
|
||||
|
||||
do while (any( t /= 0_pInt) )
|
||||
halton = halton + real(mod(t,base), pReal) * base_inv
|
||||
base_inv = base_inv / real(base, pReal)
|
||||
t = t / base
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets the dimension for a Halton sequence
|
||||
!> @author John Burkardt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine halton_ndim_set(ndim)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: ndim !< dimension of the Halton vectors
|
||||
integer(pInt) :: value_halton(1)
|
||||
|
||||
value_halton(1) = ndim
|
||||
call halton_memory ('SET', 'NDIM', 1_pInt, value_halton)
|
||||
|
||||
end subroutine halton_ndim_set
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets the seed for the Halton sequence.
|
||||
!> @details Calling HALTON repeatedly returns the elements of the Halton sequence in order,
|
||||
!> @details starting with element number 1.
|
||||
!> @details An internal counter, called SEED, keeps track of the next element to return. Each time
|
||||
!> @details is computed, and then SEED is incremented by 1.
|
||||
!> @details To restart the Halton sequence, it is only necessary to reset SEED to 1. It might also
|
||||
!> @details be desirable to reset SEED to some other value. This routine allows the user to specify
|
||||
!> @details any value of SEED.
|
||||
!> @details The default value of SEED is 1, which restarts the Halton sequence.
|
||||
!> @author John Burkardt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine halton_seed_set(seed)
|
||||
implicit none
|
||||
|
||||
integer(pInt), parameter :: NDIM = 1_pInt
|
||||
integer(pInt), intent(in) :: seed !< seed for the Halton sequence.
|
||||
integer(pInt) :: value_halton(ndim)
|
||||
|
||||
value_halton(1) = seed
|
||||
call halton_memory ('SET', 'SEED', NDIM, value_halton)
|
||||
|
||||
end subroutine halton_seed_set
|
||||
end function halton
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -2820,4 +2632,135 @@ real(pReal) pure function math_limit(a, left, right)
|
|||
|
||||
end function math_limit
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Modified Bessel I function of order 0
|
||||
!> @author John Burkardt
|
||||
!> @details original version available on https://people.sc.fsu.edu/~jburkardt/f_src/toms715/toms715.html
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function bessel_i0 (x)
|
||||
use, intrinsic :: IEEE_ARITHMETIC
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: x
|
||||
integer(pInt) :: i
|
||||
real(pReal) :: sump_p, sump_q, xAbs, xx
|
||||
real(pReal), parameter, dimension(15) :: p_small = real( &
|
||||
[-5.2487866627945699800e-18, -1.5982226675653184646e-14, -2.6843448573468483278e-11, &
|
||||
-3.0517226450451067446e-08, -2.5172644670688975051e-05, -1.5453977791786851041e-02, &
|
||||
-7.0935347449210549190e+00, -2.4125195876041896775e+03, -5.9545626019847898221e+05, &
|
||||
-1.0313066708737980747e+08, -1.1912746104985237192e+10, -8.4925101247114157499e+11, &
|
||||
-3.2940087627407749166e+13, -5.5050369673018427753e+14, -2.2335582639474375249e+15], pReal)
|
||||
real(pReal), parameter, dimension(5) :: q_small = real( &
|
||||
[-3.7277560179962773046e+03, 6.5158506418655165707e+06, -6.5626560740833869295e+09, &
|
||||
3.7604188704092954661e+12, -9.7087946179594019126e+14], pReal)
|
||||
real(pReal), parameter, dimension(8) :: p_large = real( &
|
||||
[-3.9843750000000000000e-01, 2.9205384596336793945e+00, -2.4708469169133954315e+00, &
|
||||
4.7914889422856814203e-01, -3.7384991926068969150e-03, -2.6801520353328635310e-03, &
|
||||
9.9168777670983678974e-05, -2.1877128189032726730e-06], pReal)
|
||||
real(pReal), parameter, dimension(7) :: q_large = real( &
|
||||
[-3.1446690275135491500e+01, 8.5539563258012929600e+01, -6.0228002066743340583e+01, &
|
||||
1.3982595353892851542e+01, -1.1151759188741312645e+00, 3.2547697594819615062e-02, &
|
||||
-5.5194330231005480228e-04], pReal)
|
||||
|
||||
|
||||
xAbs = abs(x)
|
||||
|
||||
argRange: if (xAbs < 5.55e-17_pReal) then
|
||||
bessel_i0 = 1.0_pReal
|
||||
else if (xAbs < 15.0_pReal) then argRange
|
||||
xx = xAbs**2.0_pReal
|
||||
sump_p = p_small(1)
|
||||
do i = 2, 15
|
||||
sump_p = sump_p * xx + p_small(i)
|
||||
end do
|
||||
xx = xx - 225.0_pReal
|
||||
sump_q = ((((xx+q_small(1))*xx+q_small(2))*xx+q_small(3))*xx+q_small(4))*xx+q_small(5)
|
||||
bessel_i0 = sump_p / sump_q
|
||||
else if (xAbs <= 713.986_pReal) then argRange
|
||||
xx = 1.0_pReal / xAbs - 2.0_pReal/30.0_pReal
|
||||
sump_p = ((((((p_large(1)*xx+p_large(2))*xx+p_large(3))*xx+p_large(4))*xx+ &
|
||||
p_large(5))*xx+p_large(6))*xx+p_large(7))*xx+p_large(8)
|
||||
sump_q = ((((((xx+q_large(1))*xx+q_large(2))*xx+q_large(3))*xx+ &
|
||||
q_large(4))*xx+q_large(5))*xx+q_large(6))*xx+q_large(7)
|
||||
bessel_i0 = sump_p / sump_q
|
||||
|
||||
avoidOverflow: if (xAbs > 698.986_pReal) then
|
||||
bessel_i0 = ((bessel_i0*exp(xAbs-40.0_pReal)-p_large(1)*exp(xAbs-40.0_pReal))/sqrt(xAbs))*exp(40.0)
|
||||
else avoidOverflow
|
||||
bessel_i0 = ((bessel_i0*exp(xAbs)-p_large(1)*exp(xAbs))/sqrt(xAbs))
|
||||
endif avoidOverflow
|
||||
|
||||
else argRange
|
||||
bessel_i0 = IEEE_value(bessel_i0,IEEE_positive_inf)
|
||||
end if argRange
|
||||
|
||||
end function bessel_i0
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Modified Bessel I function of order 1
|
||||
!> @author John Burkardt
|
||||
!> @details original version available on https://people.sc.fsu.edu/~jburkardt/f_src/toms715/toms715.html
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function bessel_i1 (x)
|
||||
use, intrinsic :: IEEE_ARITHMETIC
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: x
|
||||
integer(pInt) :: i
|
||||
real(pReal) :: sump_p, sump_q, xAbs, xx
|
||||
real(pReal), dimension(15), parameter :: p_small = real( &
|
||||
[-1.9705291802535139930e-19, -6.5245515583151902910e-16, -1.1928788903603238754e-12, &
|
||||
-1.4831904935994647675e-09, -1.3466829827635152875e-06, -9.1746443287817501309e-04, &
|
||||
-4.7207090827310162436e-01, -1.8225946631657315931e+02, -5.1894091982308017540e+04, &
|
||||
-1.0588550724769347106e+07, -1.4828267606612366099e+09, -1.3357437682275493024e+11, &
|
||||
-6.9876779648010090070e+12, -1.7732037840791591320e+14, -1.4577180278143463643e+15], pReal)
|
||||
real(pReal), dimension(5), parameter :: q_small = real( &
|
||||
[-4.0076864679904189921e+03, 7.4810580356655069138e+06, -8.0059518998619764991e+09, &
|
||||
4.8544714258273622913e+12, -1.3218168307321442305e+15], pReal)
|
||||
real(pReal), dimension(8), parameter :: p_large = real( &
|
||||
[-6.0437159056137600000e-02, 4.5748122901933459000e-01, -4.2843766903304806403e-01, &
|
||||
9.7356000150886612134e-02, -3.2457723974465568321e-03, -3.6395264712121795296e-04, &
|
||||
1.6258661867440836395e-05, -3.6347578404608223492e-07], pReal)
|
||||
real(pReal), dimension(6), parameter :: q_large = real( &
|
||||
[-3.8806586721556593450e+00, 3.2593714889036996297e+00, -8.5017476463217924408e-01, &
|
||||
7.4212010813186530069e-02, -2.2835624489492512649e-03, 3.7510433111922824643e-05], pReal)
|
||||
real(pReal), parameter :: pbar = 3.98437500e-01
|
||||
|
||||
|
||||
xAbs = abs(x)
|
||||
|
||||
argRange: if (xAbs < 5.55e-17_pReal) then
|
||||
bessel_i1 = 0.5_pReal * xAbs
|
||||
else if (xAbs < 15.0_pReal) then argRange
|
||||
xx = xAbs**2.0_pReal
|
||||
sump_p = p_small(1)
|
||||
do i = 2, 15
|
||||
sump_p = sump_p * xx + p_small(i)
|
||||
end do
|
||||
xx = xx - 225.0_pReal
|
||||
sump_q = ((((xx+q_small(1))*xx+q_small(2))*xx+q_small(3))*xx+q_small(4)) * xx + q_small(5)
|
||||
bessel_i1 = (sump_p / sump_q) * xAbs
|
||||
else if (xAbs <= 713.986_pReal) then argRange
|
||||
xx = 1.0_pReal / xAbs - 2.0_pReal/30.0_pReal
|
||||
sump_p = ((((((p_large(1)*xx+p_large(2))*xx+p_large(3))*xx+p_large(4))*xx+&
|
||||
p_large(5))*xx+p_large(6))*xx+p_large(7))*xx+p_large(8)
|
||||
sump_q = (((((xx+q_large(1))*xx+q_large(2))*xx+q_large(3))*xx+ q_large(4))*xx+q_large(5))*xx+q_large(6)
|
||||
bessel_i1 = sump_p / sump_q
|
||||
|
||||
avoidOverflow: if (xAbs > 698.986_pReal) then
|
||||
bessel_i1 = ((bessel_i1 * exp(xAbs-40.0_pReal) + pbar * exp(xAbs-40.0_pReal)) / sqrt(xAbs)) * exp(40.0_pReal)
|
||||
else avoidOverflow
|
||||
bessel_i1 = ((bessel_i1 * exp(xAbs) + pbar * exp(xAbs)) / sqrt(xAbs))
|
||||
endif avoidOverflow
|
||||
|
||||
else argRange
|
||||
bessel_i1 = IEEE_value(bessel_i1,IEEE_positive_inf)
|
||||
end if argRange
|
||||
|
||||
if (x < 0.0_pReal) bessel_i1 = -bessel_i1
|
||||
|
||||
end function bessel_i1
|
||||
|
||||
end module math
|
||||
|
|
12
src/mesh.f90
12
src/mesh.f90
|
@ -118,11 +118,6 @@ module mesh
|
|||
logical, private :: noPart !< for cases where the ABAQUS input file does not use part/assembly information
|
||||
#endif
|
||||
|
||||
#ifdef Spectral
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
include 'fftw3-mpi.f03'
|
||||
#endif
|
||||
|
||||
! These definitions should actually reside in the FE-solver specific part (different for MARC/ABAQUS)
|
||||
! Hence, I suggest to prefix with "FE_"
|
||||
|
||||
|
@ -481,6 +476,10 @@ subroutine mesh_init(ip,el)
|
|||
use, intrinsic :: iso_fortran_env, only: &
|
||||
compiler_version, &
|
||||
compiler_options
|
||||
#endif
|
||||
#ifdef Spectral
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
use PETScsys
|
||||
#endif
|
||||
use DAMASK_interface
|
||||
use IO, only: &
|
||||
|
@ -516,6 +515,7 @@ subroutine mesh_init(ip,el)
|
|||
|
||||
implicit none
|
||||
#ifdef Spectral
|
||||
include 'fftw3-mpi.f03'
|
||||
integer(C_INTPTR_T) :: devNull, local_K, local_K_offset
|
||||
integer :: ierr, worldsize
|
||||
#endif
|
||||
|
@ -524,8 +524,6 @@ subroutine mesh_init(ip,el)
|
|||
integer(pInt) :: j
|
||||
logical :: myDebug
|
||||
|
||||
external :: MPI_comm_size
|
||||
|
||||
write(6,'(/,a)') ' <<<+- mesh init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
|
|
@ -10,9 +10,6 @@ module numerics
|
|||
|
||||
implicit none
|
||||
private
|
||||
#ifdef PETSc
|
||||
#include <petsc/finclude/petsc.h90>
|
||||
#endif
|
||||
character(len=64), parameter, private :: &
|
||||
numerics_CONFIGFILE = 'numerics.config' !< name of configuration file
|
||||
|
||||
|
@ -216,6 +213,10 @@ subroutine numerics_init
|
|||
IO_warning, &
|
||||
IO_timeStamp, &
|
||||
IO_EOF
|
||||
#ifdef PETSc
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
use petscsys
|
||||
#endif
|
||||
#if defined(Spectral) || defined(FEM)
|
||||
!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if using the spectral solver
|
||||
implicit none
|
||||
|
@ -232,9 +233,7 @@ subroutine numerics_init
|
|||
line
|
||||
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
|
||||
external :: &
|
||||
MPI_Comm_rank, &
|
||||
MPI_Comm_size, &
|
||||
MPI_Abort
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
#ifdef PETSc
|
||||
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
|
||||
|
|
|
@ -62,7 +62,7 @@ module plastic_isotropic
|
|||
end type
|
||||
|
||||
type, private :: tIsotropicAbsTol !< internal alias for abs tolerance in state
|
||||
real(pReal), pointer :: & ! scalars along NipcMyInstance
|
||||
real(pReal), pointer :: & ! scalars
|
||||
flowstress, &
|
||||
accumulatedShear
|
||||
end type
|
||||
|
|
|
@ -0,0 +1,969 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @author Philip Eisenlohr, Michigan State University
|
||||
!> @author Zhuowen Zhao, Michigan State University
|
||||
!> @brief Introducing Voce-type kinematic hardening rule into crystal plasticity
|
||||
!! formulation using a power law fitting
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module plastic_kinehardening
|
||||
use prec, only: &
|
||||
pReal,&
|
||||
pInt
|
||||
|
||||
implicit none
|
||||
private
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
plastic_kinehardening_sizePostResults !< cumulative size of post results
|
||||
|
||||
integer(pInt), dimension(:,:), allocatable, target, public :: &
|
||||
plastic_kinehardening_sizePostResult !< size of each post result output
|
||||
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
plastic_kinehardening_output !< name of each post result output
|
||||
|
||||
integer(pInt), dimension(:), allocatable, target, public :: &
|
||||
plastic_kinehardening_Noutput !< number of outputs per instance
|
||||
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
plastic_kinehardening_totalNslip !< no. of slip system used in simulation
|
||||
|
||||
|
||||
integer(pInt), dimension(:,:), allocatable, private :: &
|
||||
plastic_kinehardening_Nslip !< active number of slip systems per family (input parameter, per family)
|
||||
|
||||
|
||||
enum, bind(c)
|
||||
enumerator :: undefined_ID, &
|
||||
crss_ID, & !< critical resolved stress
|
||||
crss_back_ID, & !< critical resolved back stress
|
||||
sense_ID, & !< sense of acting shear stress (-1 or +1)
|
||||
chi0_ID, & !< backstress at last switch of stress sense (positive?)
|
||||
gamma0_ID, & !< accumulated shear at last switch of stress sense (at current switch?)
|
||||
accshear_ID, &
|
||||
sumGamma_ID, &
|
||||
shearrate_ID, &
|
||||
resolvedstress_ID
|
||||
|
||||
end enum
|
||||
|
||||
|
||||
type, private :: tParameters !< container type for internal constitutive parameters
|
||||
integer(kind(undefined_ID)), dimension(:), allocatable, private :: &
|
||||
outputID !< ID of each post result output
|
||||
|
||||
real(pReal) :: &
|
||||
gdot0, & !< reference shear strain rate for slip (input parameter)
|
||||
n_slip, & !< stress exponent for slip (input parameter)
|
||||
aTolResistance, &
|
||||
aTolShear
|
||||
|
||||
|
||||
real(pReal), dimension(:), allocatable, private :: &
|
||||
crss0, & !< initial critical shear stress for slip (input parameter, per family)
|
||||
theta0, & !< initial hardening rate of forward stress for each slip
|
||||
theta1, & !< asymptotic hardening rate of forward stress for each slip >
|
||||
theta0_b, & !< initial hardening rate of back stress for each slip >
|
||||
theta1_b, & !< asymptotic hardening rate of back stress for each slip >
|
||||
tau1, &
|
||||
tau1_b, &
|
||||
interaction_slipslip, & !< latent hardening matrix
|
||||
nonSchmidCoeff
|
||||
|
||||
real(pReal), dimension(:,:), allocatable, private :: &
|
||||
hardeningMatrix_SlipSlip
|
||||
end type
|
||||
|
||||
type, private :: tKinehardeningState
|
||||
real(pReal), pointer, dimension(:,:) :: & !< vectors along NipcMyInstance
|
||||
crss, & !< critical resolved stress
|
||||
crss_back, & !< critical resolved back stress
|
||||
sense, & !< sense of acting shear stress (-1 or +1)
|
||||
chi0, & !< backstress at last switch of stress sense
|
||||
gamma0, & !< accumulated shear at last switch of stress sense
|
||||
accshear !< accumulated (absolute) shear
|
||||
|
||||
real(pReal), pointer, dimension(:) :: & !< scalars along NipcMyInstance
|
||||
sumGamma !< accumulated shear across all systems
|
||||
end type
|
||||
|
||||
type(tParameters), dimension(:), allocatable, private :: &
|
||||
param !< containers of constitutive parameters (len Ninstance)
|
||||
|
||||
type(tKinehardeningState), allocatable, dimension(:), private :: &
|
||||
dotState, &
|
||||
deltaState, &
|
||||
state, &
|
||||
state0
|
||||
|
||||
|
||||
public :: &
|
||||
plastic_kinehardening_init, &
|
||||
plastic_kinehardening_LpAndItsTangent, &
|
||||
plastic_kinehardening_dotState, &
|
||||
plastic_kinehardening_deltaState, &
|
||||
plastic_kinehardening_postResults
|
||||
private :: &
|
||||
plastic_kinehardening_shearRates
|
||||
|
||||
|
||||
contains
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief module initialization
|
||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_kinehardening_init(fileUnit)
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
use prec, only: &
|
||||
dEq0
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_constitutive,&
|
||||
debug_levelBasic
|
||||
use math, only: &
|
||||
math_Mandel3333to66, &
|
||||
math_Voigt66to3333, &
|
||||
math_expand
|
||||
use IO, only: &
|
||||
IO_read, &
|
||||
IO_lc, &
|
||||
IO_getTag, &
|
||||
IO_isBlank, &
|
||||
IO_stringPos, &
|
||||
IO_stringValue, &
|
||||
IO_floatValue, &
|
||||
IO_intValue, &
|
||||
IO_warning, &
|
||||
IO_error, &
|
||||
IO_timeStamp, &
|
||||
IO_EOF
|
||||
use material, only: &
|
||||
PLASTICITY_kinehardening_label, &
|
||||
PLASTICITY_kinehardening_ID, &
|
||||
phase_plasticity, &
|
||||
phase_plasticityInstance, &
|
||||
phase_Noutput, &
|
||||
material_phase, &
|
||||
plasticState, &
|
||||
MATERIAL_partPhase
|
||||
use lattice
|
||||
use numerics,only: &
|
||||
numerics_integrator
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
integer(pInt) :: &
|
||||
o, j, k, f, &
|
||||
output_ID, &
|
||||
phase, &
|
||||
instance, &
|
||||
maxNinstance, &
|
||||
NipcMyPhase, &
|
||||
Nchunks_SlipSlip = 0_pInt, Nchunks_SlipFamilies = 0_pInt, &
|
||||
Nchunks_nonSchmid = 0_pInt, &
|
||||
offset_slip, index_myFamily, index_otherFamily, &
|
||||
startIndex, endIndex, &
|
||||
mySize, nSlip, nSlipFamilies, &
|
||||
sizeDotState, &
|
||||
sizeState, &
|
||||
sizeDeltaState
|
||||
|
||||
real(pReal), dimension(:), allocatable :: tempPerSlip
|
||||
|
||||
character(len=65536) :: &
|
||||
tag = '', &
|
||||
line = '', &
|
||||
extmsg = ''
|
||||
character(len=64) :: &
|
||||
outputtag = ''
|
||||
|
||||
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_KINEHARDENING_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
maxNinstance = int(count(phase_plasticity == PLASTICITY_KINEHARDENING_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
||||
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a,1x,i5,/)') '# instances:',maxNinstance
|
||||
|
||||
allocate(plastic_kinehardening_sizePostResults(maxNinstance), source=0_pInt)
|
||||
allocate(plastic_kinehardening_sizePostResult(maxval(phase_Noutput),maxNinstance), &
|
||||
source=0_pInt)
|
||||
allocate(plastic_kinehardening_output(maxval(phase_Noutput),maxNinstance))
|
||||
plastic_kinehardening_output = ''
|
||||
allocate(plastic_kinehardening_Noutput(maxNinstance), source=0_pInt)
|
||||
allocate(plastic_kinehardening_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt)
|
||||
allocate(plastic_kinehardening_totalNslip(maxNinstance), source=0_pInt)
|
||||
allocate(param(maxNinstance)) ! one container of parameters per instance
|
||||
|
||||
rewind(fileUnit)
|
||||
phase = 0_pInt
|
||||
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase>
|
||||
line = IO_read(fileUnit)
|
||||
enddo
|
||||
|
||||
parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part
|
||||
line = IO_read(fileUnit)
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
|
||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
||||
exit
|
||||
endif
|
||||
if (IO_getTag(line,'[',']') /= '') then ! next phase
|
||||
phase = phase + 1_pInt ! advance phase section counter
|
||||
if (phase_plasticity(phase) == PLASTICITY_KINEHARDENING_ID) then
|
||||
instance = phase_plasticityInstance(phase) ! count instances of my constitutive law
|
||||
Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) ! maximum number of slip families according to lattice type of current phase
|
||||
Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase))
|
||||
Nchunks_nonSchmid = lattice_NnonSchmid(phase)
|
||||
allocate(param(instance)%outputID(phase_Noutput(phase)), source=undefined_ID) ! allocate space for IDs of every requested output
|
||||
allocate(param(instance)%crss0 (Nchunks_SlipFamilies), source=0.0_pReal)
|
||||
allocate(param(instance)%tau1 (Nchunks_SlipFamilies), source=0.0_pReal)
|
||||
allocate(param(instance)%tau1_b (Nchunks_SlipFamilies), source=0.0_pReal)
|
||||
allocate(param(instance)%theta0 (Nchunks_SlipFamilies), source=0.0_pReal)
|
||||
allocate(param(instance)%theta1 (Nchunks_SlipFamilies), source=0.0_pReal)
|
||||
allocate(param(instance)%theta0_b(Nchunks_SlipFamilies), source=0.0_pReal)
|
||||
allocate(param(instance)%theta1_b(Nchunks_SlipFamilies), source=0.0_pReal)
|
||||
allocate(param(instance)%interaction_slipslip(Nchunks_SlipSlip), source=0.0_pReal)
|
||||
allocate(param(instance)%nonSchmidCoeff(Nchunks_nonSchmid), source=0.0_pReal)
|
||||
if(allocated(tempPerSlip)) deallocate(tempPerSlip)
|
||||
allocate(tempPerSlip(Nchunks_SlipFamilies))
|
||||
endif
|
||||
cycle ! skip to next line
|
||||
endif
|
||||
if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_KINEHARDENING_ID) then ! one of my phases. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran
|
||||
instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase
|
||||
chunkPos = IO_stringPos(line)
|
||||
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
|
||||
select case(tag)
|
||||
case ('(output)')
|
||||
outputtag = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
|
||||
output_ID = undefined_ID
|
||||
select case(outputtag)
|
||||
case ('resistance')
|
||||
output_ID = crss_ID
|
||||
case ('backstress')
|
||||
output_ID = crss_back_ID
|
||||
case ('sense')
|
||||
output_ID = sense_ID
|
||||
case ('chi0')
|
||||
output_ID = chi0_ID
|
||||
case ('gamma0')
|
||||
output_ID = gamma0_ID
|
||||
case ('accumulatedshear')
|
||||
output_ID = accshear_ID
|
||||
case ('totalshear')
|
||||
output_ID = sumGamma_ID
|
||||
case ('shearrate')
|
||||
output_ID = shearrate_ID
|
||||
case ('resolvedstress')
|
||||
output_ID = resolvedstress_ID
|
||||
end select
|
||||
|
||||
if (output_ID /= undefined_ID) then
|
||||
plastic_kinehardening_Noutput(instance) = plastic_kinehardening_Noutput(instance) + 1_pInt
|
||||
plastic_kinehardening_output(plastic_kinehardening_Noutput(instance),instance) = outputtag
|
||||
param(instance)%outputID (plastic_kinehardening_Noutput(instance)) = output_ID
|
||||
endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! parameters depending on number of slip families
|
||||
case ('nslip')
|
||||
if (chunkPos(1) < Nchunks_SlipFamilies + 1_pInt) &
|
||||
call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_KINEHARDENING_label//')')
|
||||
if (chunkPos(1) > Nchunks_SlipFamilies + 1_pInt) &
|
||||
call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_KINEHARDENING_label//')')
|
||||
Nchunks_SlipFamilies = chunkPos(1) - 1_pInt ! user specified number of (possibly) active slip families (e.g. 6 0 6 --> 3)
|
||||
do j = 1_pInt, Nchunks_SlipFamilies
|
||||
plastic_kinehardening_Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j)
|
||||
enddo
|
||||
|
||||
case ('crss0','tau1','tau1_b','theta0','theta1','theta0_b','theta1_b')
|
||||
tempPerSlip = 0.0_pReal
|
||||
do j = 1_pInt, Nchunks_SlipFamilies
|
||||
if (plastic_kinehardening_Nslip(j,instance) > 0_pInt) &
|
||||
tempPerSlip(j) = IO_floatValue(line,chunkPos,1_pInt+j)
|
||||
enddo
|
||||
select case(tag)
|
||||
case ('crss0')
|
||||
param(instance)%crss0(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies)
|
||||
case ('tau1')
|
||||
param(instance)%tau1(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies)
|
||||
case ('tau1_b')
|
||||
param(instance)%tau1_b(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies)
|
||||
case ('theta0')
|
||||
param(instance)%theta0(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies)
|
||||
case ('theta1')
|
||||
param(instance)%theta1(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies)
|
||||
case ('theta0_b')
|
||||
param(instance)%theta0_b(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies)
|
||||
case ('theta1_b')
|
||||
param(instance)%theta1_b(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies)
|
||||
end select
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! parameters depending on number of interactions
|
||||
case ('interaction_slipslip')
|
||||
if (chunkPos(1) < 1_pInt + Nchunks_SlipSlip) &
|
||||
call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_KINEHARDENING_label//')')
|
||||
do j = 1_pInt, Nchunks_SlipSlip
|
||||
param(instance)%interaction_slipslip(j) = IO_floatValue(line,chunkPos,1_pInt+j)
|
||||
enddo
|
||||
case ('nonschmidcoeff')
|
||||
if (chunkPos(1) < 1_pInt + Nchunks_nonSchmid) &
|
||||
call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_KINEHARDENING_label//')')
|
||||
do j = 1_pInt,Nchunks_nonSchmid
|
||||
param(instance)%nonSchmidCoeff(j) = IO_floatValue(line,chunkPos,1_pInt+j)
|
||||
enddo
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
case ('gdot0')
|
||||
param(instance)%gdot0 = IO_floatValue(line,chunkPos,2_pInt)
|
||||
|
||||
case ('n_slip')
|
||||
param(instance)%n_slip = IO_floatValue(line,chunkPos,2_pInt)
|
||||
|
||||
case ('atol_resistance')
|
||||
param(instance)%aTolResistance = IO_floatValue(line,chunkPos,2_pInt)
|
||||
|
||||
case ('atol_shear')
|
||||
param(instance)%aTolShear = IO_floatValue(line,chunkPos,2_pInt)
|
||||
|
||||
case default
|
||||
|
||||
end select
|
||||
endif; endif
|
||||
enddo parsingFile
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocation of variables whose size depends on the total number of active slip systems
|
||||
allocate(state(maxNinstance))
|
||||
allocate(state0(maxNinstance))
|
||||
allocate(dotState(maxNinstance))
|
||||
allocate(deltaState(maxNinstance))
|
||||
|
||||
|
||||
initializeInstances: do phase = 1_pInt, size(phase_plasticity) ! loop through all phases in material.config
|
||||
myPhase2: if (phase_plasticity(phase) == PLASTICITY_KINEHARDENING_ID) then ! only consider my phase
|
||||
NipcMyPhase = count(material_phase == phase) ! number of IPCs containing my phase
|
||||
instance = phase_plasticityInstance(phase) ! which instance of my phase
|
||||
plastic_kinehardening_Nslip(1:lattice_maxNslipFamily,instance) = &
|
||||
min(lattice_NslipSystem(1:lattice_maxNslipFamily,phase),& ! limit active slip systems per family to min of available and requested
|
||||
plastic_kinehardening_Nslip(1:lattice_maxNslipFamily,instance))
|
||||
|
||||
plastic_kinehardening_totalNslip(instance) = sum(plastic_kinehardening_Nslip(:,instance)) ! how many slip systems altogether
|
||||
nSlipFamilies = count(plastic_kinehardening_Nslip(:,instance) > 0_pInt)
|
||||
nSlip = plastic_kinehardening_totalNslip(instance) ! total number of active slip systems
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! sanity checks
|
||||
|
||||
if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt &
|
||||
.and. param(instance)%crss0(1:nSlipFamilies) < 0.0_pReal)) extmsg = trim(extmsg)//' crss0'
|
||||
if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt &
|
||||
.and. param(instance)%tau1(1:nSlipFamilies) <= 0.0_pReal)) extmsg = trim(extmsg)//' tau1'
|
||||
if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt &
|
||||
.and. param(instance)%tau1_b(1:nSlipFamilies) < 0.0_pReal)) extmsg = trim(extmsg)//' tau1_b'
|
||||
if (param(instance)%gdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0'
|
||||
if (param(instance)%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip'
|
||||
if (param(instance)%aTolResistance <= 0.0_pReal) param(instance)%aTolResistance = 1.0_pReal ! default absolute tolerance 1 Pa
|
||||
if (param(instance)%aTolShear <= 0.0_pReal) param(instance)%aTolShear = 1.0e-6_pReal ! default absolute tolerance 1e-6
|
||||
if (extmsg /= '') then
|
||||
extmsg = trim(extmsg)//' ('//PLASTICITY_KINEHARDENING_label//')' ! prepare error message identifier
|
||||
call IO_error(211_pInt,ip=instance,ext_msg=extmsg)
|
||||
endif
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Determine size of postResults array
|
||||
|
||||
outputsLoop: do o = 1_pInt,plastic_kinehardening_Noutput(instance)
|
||||
select case(param(instance)%outputID(o))
|
||||
case(crss_ID, & !< critical resolved stress
|
||||
crss_back_ID, & !< critical resolved back stress
|
||||
sense_ID, & !< sense of acting shear stress (-1 or +1)
|
||||
chi0_ID, & !< backstress at last switch of stress sense
|
||||
gamma0_ID, & !< accumulated shear at last switch of stress sense
|
||||
accshear_ID, &
|
||||
shearrate_ID, &
|
||||
resolvedstress_ID)
|
||||
mySize = nSlip
|
||||
case(sumGamma_ID)
|
||||
mySize = 1_pInt
|
||||
case default
|
||||
end select
|
||||
|
||||
outputFound: if (mySize > 0_pInt) then
|
||||
plastic_kinehardening_sizePostResult(o,instance) = mySize
|
||||
plastic_kinehardening_sizePostResults(instance) = plastic_kinehardening_sizePostResults(instance) + mySize
|
||||
endif outputFound
|
||||
enddo outputsLoop
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
sizeDotState = nSlip & !< crss
|
||||
+ nSlip & !< crss_back
|
||||
+ nSlip & !< accumulated (absolute) shear
|
||||
+ 1_pInt !< sum(gamma)
|
||||
|
||||
sizeDeltaState = nSlip & !< sense of acting shear stress (-1 or +1)
|
||||
+ nSlip & !< backstress at last switch of stress sense
|
||||
+ nSlip !< accumulated shear at last switch of stress sense
|
||||
|
||||
sizeState = sizeDotState + sizeDeltaState
|
||||
plasticState(phase)%sizeState = sizeState
|
||||
plasticState(phase)%sizeDotState = sizeDotState
|
||||
plasticState(phase)%sizeDeltaState = sizeDeltaState
|
||||
plasticState(phase)%offsetDeltaState = sizeDotState
|
||||
plasticState(phase)%sizePostResults = plastic_kinehardening_sizePostResults(instance)
|
||||
plasticState(phase)%nSlip = nSlip
|
||||
|
||||
allocate(plasticState(phase)%state0 ( sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%partionedState0 ( sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%subState0 ( sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%state ( sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%aTolState (sizeDotState), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%deltaState (sizeDeltaState,NipcMyPhase), source=0.0_pReal) ! allocate space for deltaState
|
||||
if (any(numerics_integrator == 1_pInt)) then
|
||||
allocate(plasticState(phase)%previousDotState (sizeDotState,NipcMyPhase),source=0.0_pReal)
|
||||
allocate(plasticState(phase)%previousDotState2(sizeDotState,NipcMyPhase),source=0.0_pReal)
|
||||
endif
|
||||
if (any(numerics_integrator == 4_pInt)) &
|
||||
allocate(plasticState(phase)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
|
||||
if (any(numerics_integrator == 5_pInt)) &
|
||||
allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NipcMyPhase), source=0.0_pReal)
|
||||
|
||||
offset_slip = plasticState(phase)%nSlip+plasticState(phase)%nTwin+2_pInt
|
||||
plasticState(phase)%slipRate => &
|
||||
plasticState(phase)%dotState(offset_slip+1:offset_slip+plasticState(phase)%nSlip,1:NipcMyPhase)
|
||||
plasticState(phase)%accumulatedSlip => &
|
||||
plasticState(phase)%state(offset_slip+1:offset_slip+plasticState(phase)%nSlip,1:NipcMyPhase)
|
||||
|
||||
allocate(param(instance)%hardeningMatrix_SlipSlip(nSlip,nSlip), source=0.0_pReal)
|
||||
do f = 1_pInt,lattice_maxNslipFamily ! >>> interaction slip -- X
|
||||
index_myFamily = sum(plastic_kinehardening_Nslip(1:f-1_pInt,instance))
|
||||
do j = 1_pInt,plastic_kinehardening_Nslip(f,instance) ! loop over (active) systems in my family (slip)
|
||||
do o = 1_pInt,lattice_maxNslipFamily
|
||||
index_otherFamily = sum(plastic_kinehardening_Nslip(1:o-1_pInt,instance))
|
||||
do k = 1_pInt,plastic_kinehardening_Nslip(o,instance) ! loop over (active) systems in other family (slip)
|
||||
param(instance)%hardeningMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k) = &
|
||||
param(instance)%interaction_SlipSlip(lattice_interactionSlipSlip( &
|
||||
sum(lattice_NslipSystem(1:f-1,phase))+j, &
|
||||
sum(lattice_NslipSystem(1:o-1,phase))+k, &
|
||||
phase))
|
||||
enddo; enddo
|
||||
enddo; enddo
|
||||
|
||||
!----------------------------------------------------------------------------------------------
|
||||
!locally define dotState alias
|
||||
|
||||
endindex = 0_pInt
|
||||
o = endIndex ! offset of dotstate index relative to state index
|
||||
|
||||
startIndex = endIndex + 1_pInt
|
||||
endIndex = endIndex + nSlip
|
||||
state (instance)%crss => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase)
|
||||
state0 (instance)%crss => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase)
|
||||
dotState(instance)%crss => plasticState(phase)%dotState (startIndex-o:endIndex-o,1:NipcMyPhase)
|
||||
|
||||
state0(instance)%crss = spread(math_expand(param(instance)%crss0,&
|
||||
plastic_kinehardening_Nslip(:,instance)), &
|
||||
2, NipcMyPhase)
|
||||
plasticState(phase)%aTolState(startIndex-o:endIndex-o) = param(instance)%aTolResistance
|
||||
|
||||
! .............................................
|
||||
startIndex = endIndex + 1_pInt
|
||||
endIndex = endIndex + nSlip
|
||||
state (instance)%crss_back => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase)
|
||||
state0 (instance)%crss_back => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase)
|
||||
dotState(instance)%crss_back => plasticState(phase)%dotState (startIndex-o:endIndex-o,1:NipcMyPhase)
|
||||
|
||||
state0(instance)%crss_back = 0.0_pReal
|
||||
plasticState(phase)%aTolState(startIndex-o:endIndex-o) = param(instance)%aTolResistance
|
||||
|
||||
! .............................................
|
||||
startIndex = endIndex + 1_pInt
|
||||
endIndex = endIndex + nSlip
|
||||
state (instance)%accshear => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase)
|
||||
state0 (instance)%accshear => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase)
|
||||
dotState(instance)%accshear => plasticState(phase)%dotState (startIndex-o:endIndex-o,1:NipcMyPhase)
|
||||
|
||||
state0(instance)%accshear = 0.0_pReal
|
||||
plasticState(phase)%aTolState(startIndex-o:endIndex-o) = param(instance)%aTolShear
|
||||
|
||||
! .............................................
|
||||
startIndex = endIndex + 1_pInt
|
||||
endIndex = endIndex + 1_pInt
|
||||
state (instance)%sumGamma => plasticState(phase)%state (startIndex ,1:NipcMyPhase)
|
||||
state0 (instance)%sumGamma => plasticState(phase)%state0 (startIndex ,1:NipcMyPhase)
|
||||
dotState(instance)%sumGamma => plasticState(phase)%dotState (startIndex-o ,1:NipcMyPhase)
|
||||
|
||||
state0(instance)%sumGamma = 0.0_pReal
|
||||
plasticState(phase)%aTolState(startIndex-o:endIndex-o) = param(instance)%aTolShear
|
||||
|
||||
!----------------------------------------------------------------------------------------------
|
||||
!locally define deltaState alias
|
||||
o = endIndex
|
||||
|
||||
! .............................................
|
||||
startIndex = endIndex + 1_pInt
|
||||
endIndex = endIndex + nSlip
|
||||
state (instance)%sense => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase)
|
||||
state0 (instance)%sense => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase)
|
||||
deltaState(instance)%sense => plasticState(phase)%deltaState(startIndex-o:endIndex-o,1:NipcMyPhase)
|
||||
|
||||
state0(instance)%sense = 0.0_pReal
|
||||
|
||||
! .............................................
|
||||
startIndex = endIndex + 1_pInt
|
||||
endIndex = endIndex + nSlip
|
||||
state (instance)%chi0 => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase)
|
||||
state0 (instance)%chi0 => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase)
|
||||
deltaState(instance)%chi0 => plasticState(phase)%deltaState(startIndex-o:endIndex-o,1:NipcMyPhase)
|
||||
|
||||
state0(instance)%chi0 = 0.0_pReal
|
||||
|
||||
! .............................................
|
||||
startIndex = endIndex + 1_pInt
|
||||
endIndex = endIndex + nSlip
|
||||
state (instance)%gamma0 => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase)
|
||||
state0 (instance)%gamma0 => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase)
|
||||
deltaState(instance)%gamma0 => plasticState(phase)%deltaState(startIndex-o:endIndex-o,1:NipcMyPhase)
|
||||
|
||||
state0(instance)%gamma0 = 0.0_pReal
|
||||
|
||||
endif myPhase2
|
||||
enddo initializeInstances
|
||||
|
||||
end subroutine plastic_kinehardening_init
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculation of shear rates (\dot \gamma)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, &
|
||||
Tstar_v,ph,instance,of)
|
||||
|
||||
use lattice, only: &
|
||||
lattice_NslipSystem, &
|
||||
lattice_Sslip_v, &
|
||||
lattice_maxNslipFamily, &
|
||||
lattice_NnonSchmid
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(6), intent(in) :: &
|
||||
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
|
||||
integer(pInt), intent(in) :: &
|
||||
ph, & !< phase ID
|
||||
instance, & !< instance of that phase
|
||||
of !< index of phaseMember
|
||||
real(pReal), dimension(plastic_kinehardening_totalNslip(instance)), intent(out) :: &
|
||||
gdot_pos, & !< shear rates from positive line segments
|
||||
gdot_neg, & !< shear rates from negative line segments
|
||||
tau_pos, & !< shear stress on positive line segments
|
||||
tau_neg !< shear stress on negative line segments
|
||||
|
||||
integer(pInt) :: &
|
||||
index_myFamily, &
|
||||
f,i,j,k
|
||||
|
||||
|
||||
j = 0_pInt
|
||||
slipFamilies: do f = 1_pInt,lattice_maxNslipFamily
|
||||
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family
|
||||
slipSystems: do i = 1_pInt,plastic_kinehardening_Nslip(f,instance)
|
||||
j = j + 1_pInt
|
||||
tau_pos(j) = dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,ph))
|
||||
tau_neg(j) = tau_pos(j)
|
||||
nonSchmidSystems: do k = 1,lattice_NnonSchmid(ph)
|
||||
tau_pos(j) = tau_pos(j) + param(instance)%nonSchmidCoeff(k)* &
|
||||
dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+0,index_myFamily+i,ph))
|
||||
tau_neg(j) = tau_neg(j) + param(instance)%nonSchmidCoeff(k)* &
|
||||
dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+1,index_myFamily+i,ph))
|
||||
enddo nonSchmidSystems
|
||||
enddo slipSystems
|
||||
enddo slipFamilies
|
||||
|
||||
gdot_pos = 0.5_pReal * param(instance)%gdot0 * &
|
||||
(abs(tau_pos-state(instance)%crss_back(:,of))/ &
|
||||
state(instance)%crss(:,of))**param(instance)%n_slip &
|
||||
*sign(1.0_pReal,tau_pos-state(instance)%crss_back(:,of))
|
||||
gdot_neg = 0.5_pReal * param(instance)%gdot0 * &
|
||||
(abs(tau_neg-state(instance)%crss_back(:,of))/ &
|
||||
state(instance)%crss(:,of))**param(instance)%n_slip &
|
||||
*sign(1.0_pReal,tau_neg-state(instance)%crss_back(:,of))
|
||||
|
||||
|
||||
end subroutine plastic_kinehardening_shearRates
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates plastic velocity gradient and its tangent
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dTstar99, &
|
||||
Tstar_v,ipc,ip,el)
|
||||
use prec, only: &
|
||||
dNeq0
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_constitutive, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g
|
||||
use math, only: &
|
||||
math_Plain3333to99, &
|
||||
math_Mandel6to33, &
|
||||
math_transpose33
|
||||
use lattice, only: &
|
||||
lattice_Sslip, & !< schmid matrix
|
||||
lattice_Sslip_v, &
|
||||
lattice_maxNslipFamily, &
|
||||
lattice_NslipSystem, &
|
||||
lattice_NnonSchmid
|
||||
use material, only: &
|
||||
phaseAt, phasememberAt, &
|
||||
phase_plasticityInstance
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(3,3), intent(out) :: &
|
||||
Lp !< plastic velocity gradient
|
||||
real(pReal), dimension(9,9), intent(out) :: &
|
||||
dLp_dTstar99 !< derivative of Lp with respect to 2nd Piola Kirchhoff stress
|
||||
|
||||
integer(pInt), intent(in) :: &
|
||||
ipc, & !< component-ID of integration point
|
||||
ip, & !< integration point
|
||||
el !< element
|
||||
real(pReal), dimension(6), intent(in) :: &
|
||||
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
|
||||
|
||||
integer(pInt) :: &
|
||||
instance, &
|
||||
index_myFamily, &
|
||||
f,i,j,k,l,m,n, &
|
||||
of, &
|
||||
ph
|
||||
|
||||
real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(phaseAt(ipc,ip,el)))) :: &
|
||||
gdot_pos,gdot_neg, &
|
||||
tau_pos,tau_neg
|
||||
real(pReal) :: &
|
||||
dgdot_dtau_pos,dgdot_dtau_neg
|
||||
real(pReal), dimension(3,3,3,3) :: &
|
||||
dLp_dTstar3333 !< derivative of Lp with respect to Tstar as 4th order tensor
|
||||
real(pReal), dimension(3,3,2) :: &
|
||||
nonSchmid_tensor
|
||||
|
||||
ph = phaseAt(ipc,ip,el) !< figures phase for each material point
|
||||
of = phasememberAt(ipc,ip,el) !< index of the positions of each constituent of material point, phasememberAt is a function in material that helps figure them out
|
||||
instance = phase_plasticityInstance(ph)
|
||||
|
||||
Lp = 0.0_pReal
|
||||
dLp_dTstar3333 = 0.0_pReal
|
||||
dLp_dTstar99 = 0.0_pReal
|
||||
|
||||
call plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, &
|
||||
Tstar_v,ph,instance,of)
|
||||
|
||||
|
||||
j = 0_pInt ! reading and marking the starting index for each slip family
|
||||
slipFamilies: do f = 1_pInt,lattice_maxNslipFamily
|
||||
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family
|
||||
slipSystems: do i = 1_pInt,plastic_kinehardening_Nslip(f,instance)
|
||||
j = j + 1_pInt
|
||||
|
||||
! build nonSchmid tensor
|
||||
nonSchmid_tensor(1:3,1:3,1) = lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)
|
||||
nonSchmid_tensor(1:3,1:3,2) = nonSchmid_tensor(1:3,1:3,1)
|
||||
do k = 1,lattice_NnonSchmid(ph)
|
||||
nonSchmid_tensor(1:3,1:3,1) = &
|
||||
nonSchmid_tensor(1:3,1:3,1) + param(instance)%nonSchmidCoeff(k) * &
|
||||
lattice_Sslip(1:3,1:3,2*k,index_myFamily+i,ph)
|
||||
nonSchmid_tensor(1:3,1:3,2) = &
|
||||
nonSchmid_tensor(1:3,1:3,2) + param(instance)%nonSchmidCoeff(k) * &
|
||||
lattice_Sslip(1:3,1:3,2*k+1,index_myFamily+i,ph)
|
||||
enddo
|
||||
|
||||
Lp = Lp + (gdot_pos(j)+gdot_neg(j))*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph) ! sum of all gdot*SchmidTensor gives Lp
|
||||
|
||||
! Calculation of the tangent of Lp ! sensitivity of Lp
|
||||
if (dNeq0(gdot_pos(j))) then
|
||||
dgdot_dtau_pos = gdot_pos(j)*param(instance)%n_slip/(tau_pos(j)-state(instance)%crss_back(j,of))
|
||||
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
|
||||
dLp_dTstar3333(k,l,m,n) = &
|
||||
dLp_dTstar3333(k,l,m,n) + dgdot_dtau_pos*lattice_Sslip(k,l,1,index_myFamily+i,ph)* &
|
||||
nonSchmid_tensor(m,n,1)
|
||||
endif
|
||||
|
||||
if (dNeq0(gdot_neg(j))) then
|
||||
dgdot_dtau_neg = gdot_neg(j)*param(instance)%n_slip/(tau_neg(j)-state(instance)%crss_back(j,of))
|
||||
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
|
||||
dLp_dTstar3333(k,l,m,n) = &
|
||||
dLp_dTstar3333(k,l,m,n) + dgdot_dtau_neg*lattice_Sslip(k,l,1,index_myFamily+i,ph)* &
|
||||
nonSchmid_tensor(m,n,2)
|
||||
endif
|
||||
enddo slipSystems
|
||||
enddo slipFamilies
|
||||
|
||||
dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333)
|
||||
|
||||
end subroutine plastic_kinehardening_LpAndItsTangent
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates (instantaneous) incremental change of microstructure
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_kinehardening_deltaState(Tstar_v,ipc,ip,el)
|
||||
use prec, only: &
|
||||
dNeq, &
|
||||
dEq0
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_constitutive, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g
|
||||
use material, only: &
|
||||
phaseAt, &
|
||||
phasememberAt, &
|
||||
phase_plasticityInstance
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(6), intent(in):: &
|
||||
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
|
||||
integer(pInt), intent(in) :: &
|
||||
ipc, & !< component-ID of integration point
|
||||
ip, & !< integration point
|
||||
el !< element
|
||||
real(pReal), dimension(6) :: &
|
||||
Tstar_dev_v !< deviatoric 2nd Piola Kirchhoff stress tensor in Mandel notation
|
||||
real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(phaseAt(ipc,ip,el)))) :: &
|
||||
gdot_pos,gdot_neg, &
|
||||
tau_pos,tau_neg, &
|
||||
sense
|
||||
integer(pInt) :: &
|
||||
ph, &
|
||||
instance, & !< instance of my instance (unique number of my constitutive model)
|
||||
of, &
|
||||
j !< shortcut notation for offset position in state array
|
||||
|
||||
ph = phaseAt(ipc,ip,el)
|
||||
of = phasememberAt(ipc,ip,el) ! phasememberAt should be tackled by material and be renamed to material_phasemember
|
||||
instance = phase_plasticityInstance(ph)
|
||||
|
||||
call plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, &
|
||||
Tstar_v,ph,instance,of)
|
||||
sense = merge(state(instance)%sense(:,of), & ! keep existing...
|
||||
sign(1.0_pReal,gdot_pos+gdot_neg), & ! ...or have a defined
|
||||
dEq0(gdot_pos+gdot_neg,1e-10_pReal)) ! current sense of shear direction
|
||||
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_constitutive), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a)') '======= kinehardening delta state ======='
|
||||
endif
|
||||
#endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! switch in sense of shear?
|
||||
do j = 1,plastic_kinehardening_totalNslip(instance)
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_constitutive), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(i2,1x,f7.4,1x,f7.4)') j,sense(j),state(instance)%sense(j,of)
|
||||
endif
|
||||
#endif
|
||||
if (dNeq(sense(j),state(instance)%sense(j,of),0.1_pReal)) then
|
||||
deltaState(instance)%sense (j,of) = sense(j) - state(instance)%sense(j,of) ! switch sense
|
||||
deltaState(instance)%chi0 (j,of) = abs(state(instance)%crss_back(j,of)) - state(instance)%chi0(j,of) ! remember current backstress magnitude
|
||||
deltaState(instance)%gamma0(j,of) = state(instance)%accshear(j,of) - state(instance)%gamma0(j,of) ! remember current accumulated shear
|
||||
else
|
||||
deltaState(instance)%sense (j,of) = 0.0_pReal ! no change
|
||||
deltaState(instance)%chi0 (j,of) = 0.0_pReal
|
||||
deltaState(instance)%gamma0(j,of) = 0.0_pReal
|
||||
endif
|
||||
enddo
|
||||
|
||||
end subroutine plastic_kinehardening_deltaState
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates the rate of change of microstructure
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plastic_kinehardening_dotState(Tstar_v,ipc,ip,el)
|
||||
use lattice, only: &
|
||||
lattice_Sslip_v, &
|
||||
lattice_maxNslipFamily, &
|
||||
lattice_NslipSystem, &
|
||||
lattice_NnonSchmid
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
phaseAt, phasememberAt, &
|
||||
plasticState, &
|
||||
phase_plasticityInstance
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(6), intent(in) :: &
|
||||
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation, vector form
|
||||
integer(pInt), intent(in) :: &
|
||||
ipc, & !< component-ID of integration point
|
||||
ip, & !< integration point
|
||||
el !< element !< microstructure state
|
||||
|
||||
integer(pInt) :: &
|
||||
instance,ph, &
|
||||
f,i,j,k, &
|
||||
index_myFamily,index_otherFamily, &
|
||||
nSlip, &
|
||||
offset_accshear, &
|
||||
of
|
||||
|
||||
real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
|
||||
gdot_pos,gdot_neg, &
|
||||
tau_pos,tau_neg
|
||||
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
ph = phaseAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(ph)
|
||||
nSlip = plastic_kinehardening_totalNslip(instance)
|
||||
|
||||
dotState(instance)%sumGamma(of) = 0.0_pReal
|
||||
|
||||
call plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, &
|
||||
Tstar_v,ph,instance,of)
|
||||
|
||||
j = 0_pInt
|
||||
slipFamilies: do f = 1_pInt,lattice_maxNslipFamily
|
||||
slipSystems: do i = 1_pInt,plastic_kinehardening_Nslip(f,instance)
|
||||
j = j+1_pInt
|
||||
dotState(instance)%crss(j,of) = & ! evolution of slip resistance j
|
||||
dot_product(param(instance)%hardeningMatrix_SlipSlip(j,1:nSlip),abs(gdot_pos+gdot_neg)) * &
|
||||
( param(instance)%theta1(f) + &
|
||||
(param(instance)%theta0(f) - param(instance)%theta1(f) &
|
||||
+ param(instance)%theta0(f)*param(instance)%theta1(f)*state(instance)%sumGamma(of)/param(instance)%tau1(f)) &
|
||||
*exp(-state(instance)%sumGamma(of)*param(instance)%theta0(f)/param(instance)%tau1(f)) & ! V term depending on the harding law
|
||||
)
|
||||
dotState(instance)%crss_back(j,of) = & ! evolution of back stress resistance j
|
||||
state(instance)%sense(j,of)*abs(gdot_pos(j)+gdot_neg(j)) * &
|
||||
( param(instance)%theta1_b(f) + &
|
||||
(param(instance)%theta0_b(f) - param(instance)%theta1_b(f) &
|
||||
+ param(instance)%theta0_b(f)*param(instance)%theta1_b(f)/(param(instance)%tau1_b(f)+state(instance)%chi0(j,of)) &
|
||||
*(state(instance)%accshear(j,of)-state(instance)%gamma0(j,of))) &
|
||||
*exp(-(state(instance)%accshear(j,of)-state(instance)%gamma0(j,of)) &
|
||||
*param(instance)%theta0_b(f)/(param(instance)%tau1_b(f)+state(instance)%chi0(j,of))) &
|
||||
) ! V term depending on the harding law for back stress
|
||||
|
||||
dotState(instance)%accshear(j,of) = abs(gdot_pos(j)+gdot_neg(j))
|
||||
dotState(instance)%sumGamma(of) = dotState(instance)%sumGamma(of) + dotState(instance)%accshear(j,of)
|
||||
enddo slipSystems
|
||||
enddo slipFamilies
|
||||
|
||||
end subroutine plastic_kinehardening_dotState
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of constitutive results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function plastic_kinehardening_postResults(Tstar_v,ipc,ip,el)
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
plasticState, &
|
||||
phaseAt, phasememberAt, &
|
||||
phase_plasticityInstance
|
||||
use lattice, only: &
|
||||
lattice_Sslip_v, &
|
||||
lattice_maxNslipFamily, &
|
||||
lattice_NslipSystem, &
|
||||
lattice_NnonSchmid
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(6), intent(in) :: &
|
||||
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
|
||||
integer(pInt), intent(in) :: &
|
||||
ipc, & !< component-ID of integration point
|
||||
ip, & !< integration point
|
||||
el !< element !< microstructure state
|
||||
|
||||
real(pReal), dimension(plastic_kinehardening_sizePostResults(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
|
||||
plastic_kinehardening_postResults
|
||||
|
||||
integer(pInt) :: &
|
||||
instance,ph, of, &
|
||||
nSlip,&
|
||||
o,f,i,c,j,k, &
|
||||
index_myFamily
|
||||
|
||||
real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
|
||||
gdot_pos,gdot_neg, &
|
||||
tau_pos,tau_neg
|
||||
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
ph = phaseAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(ph)
|
||||
|
||||
nSlip = plastic_kinehardening_totalNslip(instance)
|
||||
|
||||
plastic_kinehardening_postResults = 0.0_pReal
|
||||
c = 0_pInt
|
||||
|
||||
call plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, &
|
||||
Tstar_v,ph,instance,of)
|
||||
|
||||
outputsLoop: do o = 1_pInt,plastic_kinehardening_Noutput(instance)
|
||||
select case(param(instance)%outputID(o))
|
||||
case (crss_ID)
|
||||
plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%crss(:,of)
|
||||
c = c + nSlip
|
||||
|
||||
case(crss_back_ID)
|
||||
plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%crss_back(:,of)
|
||||
c = c + nSlip
|
||||
|
||||
case (sense_ID)
|
||||
plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%sense(:,of)
|
||||
c = c + nSlip
|
||||
|
||||
case (chi0_ID)
|
||||
plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%chi0(:,of)
|
||||
c = c + nSlip
|
||||
|
||||
case (gamma0_ID)
|
||||
plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%gamma0(:,of)
|
||||
c = c + nSlip
|
||||
|
||||
case (accshear_ID)
|
||||
plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%accshear(:,of)
|
||||
c = c + nSlip
|
||||
|
||||
case (sumGamma_ID)
|
||||
plastic_kinehardening_postResults(c+1_pInt) = state(instance)%sumGamma(of)
|
||||
c = c + 1_pInt
|
||||
|
||||
case (shearrate_ID)
|
||||
plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = gdot_pos+gdot_neg
|
||||
c = c + nSlip
|
||||
|
||||
case (resolvedstress_ID)
|
||||
j = 0_pInt
|
||||
slipFamilies: do f = 1_pInt,lattice_maxNslipFamily
|
||||
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family
|
||||
slipSystems: do i = 1_pInt,plastic_kinehardening_Nslip(f,instance)
|
||||
j = j + 1_pInt
|
||||
plastic_kinehardening_postResults(c+j) = &
|
||||
dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,ph))
|
||||
enddo slipSystems
|
||||
enddo slipFamilies
|
||||
c = c + nSlip
|
||||
|
||||
end select
|
||||
enddo outputsLoop
|
||||
|
||||
end function plastic_kinehardening_postResults
|
||||
|
||||
end module plastic_kinehardening
|
|
@ -68,7 +68,7 @@ module prec
|
|||
nTrans = 0_pInt
|
||||
logical :: &
|
||||
nonlocal = .false.
|
||||
real(pReal), pointer, dimension(:,:), contiguous :: &
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
slipRate, & !< slip rate
|
||||
accumulatedSlip !< accumulated plastic slip
|
||||
end type
|
||||
|
|
|
@ -4,6 +4,10 @@
|
|||
!> @brief Spectral solver for nonlocal damage
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module spectral_damage
|
||||
#include <petsc/finclude/petscsnes.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
|
@ -18,7 +22,6 @@ module spectral_damage
|
|||
|
||||
implicit none
|
||||
private
|
||||
#include <petsc/finclude/petsc.h90>
|
||||
|
||||
character (len=*), parameter, public :: &
|
||||
spectral_damage_label = 'spectraldamage'
|
||||
|
@ -46,13 +49,9 @@ module spectral_damage
|
|||
public :: &
|
||||
spectral_damage_init, &
|
||||
spectral_damage_solution, &
|
||||
spectral_damage_forward, &
|
||||
spectral_damage_destroy
|
||||
spectral_damage_forward
|
||||
external :: &
|
||||
PETScFinalize, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
@ -79,32 +78,22 @@ subroutine spectral_damage_init()
|
|||
damage_nonlocal_getMobility
|
||||
|
||||
implicit none
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
PetscInt, dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
integer(pInt) :: i, j, k, cell
|
||||
DM :: damage_grid
|
||||
Vec :: uBound, lBound
|
||||
PetscErrorCode :: ierr
|
||||
character(len=100) :: snes_type
|
||||
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMDAGetCorners, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESSetFromOptions, &
|
||||
SNESGetType, &
|
||||
VecSet, &
|
||||
DMGetGlobalVector, &
|
||||
DMRestoreGlobalVector, &
|
||||
SNESVISetVariableBounds
|
||||
DMDAGetCorners, &
|
||||
DMDASNESSetFunctionLocal
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press, '
|
||||
write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018 '
|
||||
write(6,'(a,/)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018 '
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
|
@ -116,21 +105,23 @@ subroutine spectral_damage_init()
|
|||
do proc = 1, worldsize
|
||||
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
|
||||
enddo
|
||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||
call DMDACreate3D(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & !< cut off stencil at boundary
|
||||
DMDA_STENCIL_BOX, & !< Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & !< global grid
|
||||
1, 1, worldsize, &
|
||||
1, 0, & !< #dof (damage phase field), ghost boundary width (domain overlap)
|
||||
grid(1),grid(2),localK, & !< local grid
|
||||
[grid(1)],[grid(2)],localK, & !< local grid
|
||||
damage_grid,ierr) !< handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
|
||||
call DMsetFromOptions(damage_grid,ierr); CHKERRQ(ierr)
|
||||
call DMsetUp(damage_grid,ierr); CHKERRQ(ierr)
|
||||
call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,&
|
||||
PETSC_NULL_OBJECT,ierr) !< residual vector of same shape as solution vector
|
||||
PETSC_NULL_SNES,ierr) !< residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional cli arguments
|
||||
call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional CLI arguments
|
||||
call SNESGetType(damage_snes,snes_type,ierr); CHKERRQ(ierr)
|
||||
if (trim(snes_type) == 'vinewtonrsls' .or. &
|
||||
trim(snes_type) == 'vinewtonssls') then
|
||||
|
@ -206,8 +197,7 @@ type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadC
|
|||
external :: &
|
||||
VecMin, &
|
||||
VecMax, &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
SNESSolve
|
||||
|
||||
spectral_damage_solution%converged =.false.
|
||||
|
||||
|
@ -216,7 +206,7 @@ type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadC
|
|||
params%timeinc = timeinc
|
||||
params%timeincOld = timeinc_old
|
||||
|
||||
call SNESSolve(damage_snes,PETSC_NULL_OBJECT,solution,ierr); CHKERRQ(ierr)
|
||||
call SNESSolve(damage_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)
|
||||
call SNESGetConvergedReason(damage_snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (reason < 1) then
|
||||
|
@ -244,14 +234,12 @@ type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadC
|
|||
|
||||
call VecMin(solution,position,minDamage,ierr); CHKERRQ(ierr)
|
||||
call VecMax(solution,position,maxDamage,ierr); CHKERRQ(ierr)
|
||||
if (worldrank == 0) then
|
||||
if (spectral_damage_solution%converged) &
|
||||
write(6,'(/,a)') ' ... nonlocal damage converged .....................................'
|
||||
write(6,'(/,a,f8.6,2x,f8.6,2x,f8.6,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
|
||||
minDamage, maxDamage, stagNorm
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
endif
|
||||
|
||||
end function spectral_damage_solution
|
||||
|
||||
|
@ -362,9 +350,6 @@ subroutine spectral_damage_forward()
|
|||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
SNESGetDM
|
||||
|
||||
if (cutBack) then
|
||||
damage_current = damage_lastInc
|
||||
damage_stagInc = damage_lastInc
|
||||
|
@ -399,21 +384,4 @@ subroutine spectral_damage_forward()
|
|||
|
||||
end subroutine spectral_damage_forward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief destroy routine
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine spectral_damage_destroy()
|
||||
|
||||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy
|
||||
|
||||
call VecDestroy(solution,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(damage_snes,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine spectral_damage_destroy
|
||||
|
||||
end module spectral_damage
|
||||
|
|
|
@ -11,9 +11,9 @@
|
|||
module DAMASK_interface
|
||||
use prec, only: &
|
||||
pInt
|
||||
|
||||
implicit none
|
||||
private
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
|
||||
integer(pInt), public, protected :: spectralRestartInc = 0_pInt !< Increment at which calculation starts
|
||||
character(len=1024), public, protected :: &
|
||||
|
@ -44,7 +44,13 @@ contains
|
|||
subroutine DAMASK_interface_init()
|
||||
use, intrinsic :: &
|
||||
iso_fortran_env
|
||||
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR!=9
|
||||
===================================================================================================
|
||||
========================= THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x =========================
|
||||
===================================================================================================
|
||||
#endif
|
||||
use PETScSys
|
||||
use system_routines, only: &
|
||||
getHostName
|
||||
|
||||
|
@ -72,11 +78,8 @@ subroutine DAMASK_interface_init()
|
|||
logical :: error
|
||||
external :: &
|
||||
quit,&
|
||||
MPI_Comm_rank,&
|
||||
MPI_Comm_size,&
|
||||
PETScInitialize, &
|
||||
MPI_Init_Thread, &
|
||||
MPI_abort
|
||||
PETScErrorF, & ! is called in the CHKERRQ macro
|
||||
PETScInitialize
|
||||
|
||||
open(6, encoding='UTF-8') ! for special characters in output
|
||||
|
||||
|
@ -91,7 +94,7 @@ subroutine DAMASK_interface_init()
|
|||
call quit(1_pInt)
|
||||
endif
|
||||
#endif
|
||||
call PetscInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code
|
||||
call PETScInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code
|
||||
CHKERRQ(ierr) ! this is a macro definition, it is case sensitive
|
||||
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
|
||||
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
|
||||
|
@ -104,10 +107,6 @@ subroutine DAMASK_interface_init()
|
|||
write(output_unit,'(a)') ' STDERR != 0'
|
||||
call quit(1_pInt)
|
||||
endif
|
||||
if (PETSC_VERSION_MAJOR /= 3 .or. PETSC_VERSION_MINOR /= 7) then
|
||||
write(6,'(a,2(i1.1,a))') 'PETSc ',PETSC_VERSION_MAJOR,'.',PETSC_VERSION_MINOR,'.x not supported'
|
||||
call quit(1_pInt)
|
||||
endif
|
||||
else mainProcess
|
||||
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
|
||||
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
|
||||
|
@ -525,5 +524,4 @@ pure function IIO_stringPos(string)
|
|||
|
||||
end function IIO_stringPos
|
||||
|
||||
|
||||
end module
|
||||
|
|
|
@ -2,9 +2,13 @@
|
|||
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief Basic scheme PETSc solver
|
||||
!> @brief Basic scheme solver
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module spectral_mech_basic
|
||||
#include <petsc/finclude/petscsnes.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
|
@ -16,7 +20,6 @@ module spectral_mech_basic
|
|||
|
||||
implicit none
|
||||
private
|
||||
#include <petsc/finclude/petsc.h90>
|
||||
|
||||
character (len=*), parameter, public :: &
|
||||
DAMASK_spectral_SolverBasic_label = 'basic'
|
||||
|
@ -64,13 +67,9 @@ module spectral_mech_basic
|
|||
public :: &
|
||||
basic_init, &
|
||||
basic_solution, &
|
||||
basic_forward, &
|
||||
basic_destroy
|
||||
basic_forward
|
||||
external :: &
|
||||
PETScFinalize, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
@ -118,25 +117,18 @@ subroutine basic_init
|
|||
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: F
|
||||
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
PetscInt, dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions
|
||||
DMDASNESSetFunctionLocal
|
||||
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
|
||||
write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
|
@ -159,16 +151,18 @@ subroutine basic_init
|
|||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1 , 1, worldsize, &
|
||||
9, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||||
grid(1),grid(2),localK, & ! local grid
|
||||
[grid(1)],[grid(2)],localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Basic_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||
call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
|
||||
call DMsetUp(da,ierr); CHKERRQ(ierr)
|
||||
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,Basic_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetConvergenceTest(snes,Basic_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||
call SNESsetConvergenceTest(snes,Basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
|
@ -255,8 +249,7 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
|
|||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
SNESsolve
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
|
@ -276,13 +269,13 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
Basic_solution%converged = reason > 0
|
||||
basic_solution%converged = reason > 0
|
||||
basic_solution%iterationsNeeded = totalIter
|
||||
basic_solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
|
@ -334,10 +327,6 @@ subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
real(pReal), dimension(3,3) :: &
|
||||
deltaF_aim
|
||||
|
||||
external :: &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber
|
||||
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
@ -551,25 +540,4 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s
|
|||
|
||||
end subroutine Basic_forward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief destroy routine
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine Basic_destroy()
|
||||
use spectral_utilities, only: &
|
||||
Utilities_destroy
|
||||
|
||||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy, &
|
||||
DMDestroy
|
||||
|
||||
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
||||
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine Basic_destroy
|
||||
|
||||
end module spectral_mech_basic
|
||||
|
|
|
@ -5,6 +5,10 @@
|
|||
!> @brief Polarisation scheme solver
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module spectral_mech_Polarisation
|
||||
#include <petsc/finclude/petscsnes.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
|
@ -16,7 +20,6 @@ module spectral_mech_Polarisation
|
|||
|
||||
implicit none
|
||||
private
|
||||
#include <petsc/finclude/petsc.h90>
|
||||
|
||||
character (len=*), parameter, public :: &
|
||||
DAMASK_spectral_solverPolarisation_label = 'polarisation'
|
||||
|
@ -70,13 +73,9 @@ module spectral_mech_Polarisation
|
|||
public :: &
|
||||
Polarisation_init, &
|
||||
Polarisation_solution, &
|
||||
Polarisation_forward, &
|
||||
Polarisation_destroy
|
||||
Polarisation_forward
|
||||
external :: &
|
||||
PETScFinalize, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
@ -128,25 +127,18 @@ subroutine Polarisation_init
|
|||
FandF_tau, & ! overall pointer to solution data
|
||||
F, & ! specific (sub)pointer
|
||||
F_tau ! specific (sub)pointer
|
||||
|
||||
integer(pInt), dimension(:), allocatable :: localK
|
||||
PetscInt, dimension(:), allocatable :: localK
|
||||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESGetConvergedReason, &
|
||||
SNESSetConvergenceTest, &
|
||||
SNESSetFromOptions
|
||||
DMDASNESsetFunctionLocal
|
||||
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
|
||||
write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
|
@ -171,16 +163,18 @@ subroutine Polarisation_init
|
|||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1 , 1, worldsize, &
|
||||
18, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||||
grid(1),grid(2),localK, & ! local grid
|
||||
[grid(1)],[grid(2)],localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||
call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
|
||||
call DMsetUp(da,ierr); CHKERRQ(ierr)
|
||||
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 18, i.e. every def grad tensor)
|
||||
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||
call SNESsetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
|
@ -280,8 +274,7 @@ type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_ol
|
|||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
SNESSolve
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
|
@ -304,7 +297,7 @@ type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_ol
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
|
@ -375,10 +368,6 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
integer(pInt) :: &
|
||||
i, j, k, e
|
||||
|
||||
external :: &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
SNESGetIterationNumber
|
||||
|
||||
F => x_scal(1:3,1:3,1,&
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE)
|
||||
F_tau => x_scal(1:3,1:3,2,&
|
||||
|
@ -685,25 +674,4 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
|
|||
|
||||
end subroutine Polarisation_forward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief destroy routine
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine Polarisation_destroy()
|
||||
use spectral_utilities, only: &
|
||||
Utilities_destroy
|
||||
|
||||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy, &
|
||||
DMDestroy
|
||||
|
||||
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
||||
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine Polarisation_destroy
|
||||
|
||||
end module spectral_mech_Polarisation
|
||||
|
|
|
@ -4,6 +4,10 @@
|
|||
!> @brief Spectral solver for thermal conduction
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module spectral_thermal
|
||||
#include <petsc/finclude/petscsnes.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
|
@ -18,7 +22,6 @@ module spectral_thermal
|
|||
|
||||
implicit none
|
||||
private
|
||||
#include <petsc/finclude/petsc.h90>
|
||||
|
||||
character (len=*), parameter, public :: &
|
||||
spectral_thermal_label = 'spectralthermal'
|
||||
|
@ -46,13 +49,9 @@ module spectral_thermal
|
|||
public :: &
|
||||
spectral_thermal_init, &
|
||||
spectral_thermal_solution, &
|
||||
spectral_thermal_forward, &
|
||||
spectral_thermal_destroy
|
||||
spectral_thermal_forward
|
||||
external :: &
|
||||
PETScFinalize, &
|
||||
MPI_Abort, &
|
||||
MPI_Bcast, &
|
||||
MPI_Allreduce
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
@ -92,22 +91,15 @@ subroutine spectral_thermal_init
|
|||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
SNESCreate, &
|
||||
SNESSetOptionsPrefix, &
|
||||
DMDACreate3D, &
|
||||
SNESSetDM, &
|
||||
DMDAGetCorners, &
|
||||
DMCreateGlobalVector, &
|
||||
DMDASNESSetFunctionLocal, &
|
||||
SNESSetFromOptions
|
||||
SNESsetOptionsPrefix, &
|
||||
DMDAgetCorners, &
|
||||
DMDASNESsetFunctionLocal
|
||||
|
||||
mainProcess: if (worldrank == 0_pInt) then
|
||||
write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press,'
|
||||
write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
|
@ -117,21 +109,23 @@ subroutine spectral_thermal_init
|
|||
do proc = 1, worldsize
|
||||
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
|
||||
enddo
|
||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||
call DMDACreate3D(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1, 1, worldsize, &
|
||||
1, 0, & ! #dof (temperature field), ghost boundary width (domain overlap)
|
||||
grid (1),grid(2),localK, & ! local grid
|
||||
thermal_grid,ierr) ! handle, error
|
||||
1, 0, & !< #dof (thermal phase field), ghost boundary width (domain overlap)
|
||||
[grid(1)],[grid(2)],localK, & !< local grid
|
||||
thermal_grid,ierr) !< handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMsetFromOptions(thermal_grid,ierr); CHKERRQ(ierr)
|
||||
call DMsetUp(thermal_grid,ierr); CHKERRQ(ierr)
|
||||
call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
|
||||
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
|
||||
PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
||||
PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
||||
call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
|
@ -207,8 +201,7 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
|
|||
external :: &
|
||||
VecMin, &
|
||||
VecMax, &
|
||||
SNESSolve, &
|
||||
SNESGetConvergedReason
|
||||
SNESSolve
|
||||
|
||||
spectral_thermal_solution%converged =.false.
|
||||
|
||||
|
@ -217,7 +210,7 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
|
|||
params%timeinc = timeinc
|
||||
params%timeincOld = timeinc_old
|
||||
|
||||
call SNESSolve(thermal_snes,PETSC_NULL_OBJECT,solution,ierr); CHKERRQ(ierr)
|
||||
call SNESSolve(thermal_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)
|
||||
call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (reason < 1) then
|
||||
|
@ -247,14 +240,12 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
|
|||
|
||||
call VecMin(solution,position,minTemperature,ierr); CHKERRQ(ierr)
|
||||
call VecMax(solution,position,maxTemperature,ierr); CHKERRQ(ierr)
|
||||
if (worldrank == 0) then
|
||||
if (spectral_thermal_solution%converged) &
|
||||
write(6,'(/,a)') ' ... thermal conduction converged ..................................'
|
||||
write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
|
||||
minTemperature, maxTemperature, stagNorm
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
endif
|
||||
|
||||
end function spectral_thermal_solution
|
||||
|
||||
|
@ -361,9 +352,6 @@ subroutine spectral_thermal_forward()
|
|||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
SNESGetDM
|
||||
|
||||
if (cutBack) then
|
||||
temperature_current = temperature_lastInc
|
||||
temperature_stagInc = temperature_lastInc
|
||||
|
@ -403,21 +391,4 @@ subroutine spectral_thermal_forward()
|
|||
|
||||
end subroutine spectral_thermal_forward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief destroy routine
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine spectral_thermal_destroy()
|
||||
|
||||
implicit none
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
VecDestroy, &
|
||||
SNESDestroy
|
||||
|
||||
call VecDestroy(solution,ierr); CHKERRQ(ierr)
|
||||
call SNESDestroy(thermal_snes,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine spectral_thermal_destroy
|
||||
|
||||
end module spectral_thermal
|
||||
|
|
|
@ -5,6 +5,8 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module spectral_utilities
|
||||
use, intrinsic :: iso_c_binding
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
use PETScSys
|
||||
use prec, only: &
|
||||
pReal, &
|
||||
pInt
|
||||
|
@ -13,7 +15,6 @@ module spectral_utilities
|
|||
|
||||
implicit none
|
||||
private
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
include 'fftw3-mpi.f03'
|
||||
|
||||
logical, public :: cutBack = .false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
|
||||
|
@ -139,7 +140,6 @@ module spectral_utilities
|
|||
utilities_constitutiveResponse, &
|
||||
utilities_calculateRate, &
|
||||
utilities_forwardField, &
|
||||
utilities_destroy, &
|
||||
utilities_updateIPcoords, &
|
||||
FIELD_UNDEFINED_ID, &
|
||||
FIELD_MECH_ID, &
|
||||
|
@ -147,6 +147,8 @@ module spectral_utilities
|
|||
FIELD_DAMAGE_ID
|
||||
private :: &
|
||||
utilities_getFreqDerivative
|
||||
external :: &
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
@ -195,12 +197,6 @@ subroutine utilities_init()
|
|||
geomSize
|
||||
|
||||
implicit none
|
||||
|
||||
external :: &
|
||||
PETScOptionsClear, &
|
||||
PETScOptionsInsertString, &
|
||||
MPI_Abort
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
integer(pInt) :: i, j, k
|
||||
integer(pInt), dimension(3) :: k_s
|
||||
|
@ -214,10 +210,12 @@ subroutine utilities_init()
|
|||
scalarSize = 1_C_INTPTR_T, &
|
||||
vecSize = 3_C_INTPTR_T, &
|
||||
tensorSize = 9_C_INTPTR_T
|
||||
external :: &
|
||||
PetscOptionsInsertString
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
|
||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity, 46:37–53, 2013'
|
||||
write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
||||
write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
|
@ -232,13 +230,13 @@ subroutine utilities_init()
|
|||
trim(PETScDebug), &
|
||||
' add more using the PETSc_Options keyword in numerics.config '; flush(6)
|
||||
|
||||
call PetscOptionsClear(PETSC_NULL_OBJECT,ierr)
|
||||
call PETScOptionsClear(PETSC_NULL_OPTIONS,ierr)
|
||||
CHKERRQ(ierr)
|
||||
if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(PETSCDEBUG),ierr)
|
||||
if(debugPETSc) call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(petsc_defaultOptions),ierr)
|
||||
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_defaultOptions),ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(petsc_options),ierr)
|
||||
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
grid1Red = grid(1)/2_pInt + 1_pInt
|
||||
|
@ -632,9 +630,6 @@ real(pReal) function utilities_divergenceRMS()
|
|||
integer(pInt) :: i, j, k, ierr
|
||||
complex(pReal), dimension(3) :: rescaledGeom
|
||||
|
||||
external :: &
|
||||
MPI_Allreduce
|
||||
|
||||
write(6,'(/,a)') ' ... calculating divergence ................................................'
|
||||
flush(6)
|
||||
|
||||
|
@ -686,9 +681,6 @@ real(pReal) function utilities_curlRMS()
|
|||
complex(pReal), dimension(3,3) :: curl_fourier
|
||||
complex(pReal), dimension(3) :: rescaledGeom
|
||||
|
||||
external :: &
|
||||
MPI_Allreduce
|
||||
|
||||
write(6,'(/,a)') ' ... calculating curl ......................................................'
|
||||
flush(6)
|
||||
|
||||
|
@ -962,9 +954,6 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
|||
real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF
|
||||
real(pReal) :: max_dPdF_norm, min_dPdF_norm, defgradDetMin, defgradDetMax, defgradDet
|
||||
|
||||
external :: &
|
||||
MPI_Allreduce
|
||||
|
||||
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
|
||||
flush(6)
|
||||
|
||||
|
@ -1081,9 +1070,6 @@ function utilities_forwardField(timeinc,field_lastInc,rate,aim)
|
|||
real(pReal), dimension(3,3) :: fieldDiff !< <a + adot*t> - aim
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
MPI_Allreduce
|
||||
|
||||
utilities_forwardField = field_lastInc + rate*timeinc
|
||||
if (present(aim)) then !< correct to match average
|
||||
fieldDiff = sum(sum(sum(utilities_forwardField,dim=5),dim=4),dim=3)*wgt
|
||||
|
@ -1175,8 +1161,6 @@ subroutine utilities_updateIPcoords(F)
|
|||
integer(pInt) :: i, j, k, m, ierr
|
||||
real(pReal), dimension(3) :: step, offset_coords
|
||||
real(pReal), dimension(3,3) :: Favg
|
||||
external &
|
||||
MPI_Bcast
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! integration in Fourier space
|
||||
|
@ -1215,21 +1199,4 @@ subroutine utilities_updateIPcoords(F)
|
|||
|
||||
end subroutine utilities_updateIPcoords
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief cleans up
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_destroy()
|
||||
implicit none
|
||||
|
||||
call fftw_destroy_plan(planTensorForth)
|
||||
call fftw_destroy_plan(planTensorBack)
|
||||
call fftw_destroy_plan(planVectorForth)
|
||||
call fftw_destroy_plan(planVectorBack)
|
||||
call fftw_destroy_plan(planScalarForth)
|
||||
call fftw_destroy_plan(planScalarBack)
|
||||
|
||||
end subroutine utilities_destroy
|
||||
|
||||
|
||||
end module spectral_utilities
|
||||
|
|
Loading…
Reference in New Issue