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

Merge remote-tracking branch 'origin/development' into restructure-numerics

This commit is contained in:
Sharan 2023-08-16 20:24:18 +02:00
parent 99292c5081 71b5b95450
commit 09f3b2063d
70 changed files with 3046 additions and 249 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

38
.gitlab-ci.yml
View File

@ -47,7 +47,7 @@ variables:
PETSC_INTELLLVM: "Libraries/PETSc/3.16.3/oneAPI-2022.0.1-IntelMPI-2021.5.0"
PETSC_INTEL: "Libraries/PETSc/3.16.5/Intel-2022.0.1-IntelMPI-2021.5.0"
# ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
MSC: "FEM/MSC/2022.4"
MSC: "FEM/MSC/2023.1"
IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
HDF5Marc: "HDF5/1.12.2/Intel-19.1.2"
@ -85,6 +85,40 @@ mypy:
###################################################################################################
unittest_GNU_DEBUG:
stage: compile
script:
- module load ${COMPILER_GNU} ${MPI_GNU} ${PETSC_GNU}
- TMPDIR=$(mktemp -d)
- cmake -B ${TMPDIR} -DDAMASK_SOLVER=test -DCMAKE_INSTALL_PREFIX=${TMPDIR} -DCMAKE_BUILD_TYPE=RELEASE -DBUILDCMD_POST=-coverage
- cmake --build ${TMPDIR} --target install
- cd ${TMPDIR}
- ./bin/DAMASK_test
- find -name \*.gcda | xargs gcov
unittest_GNU_RELEASE:
stage: compile
script:
- module load ${COMPILER_GNU} ${MPI_GNU} ${PETSC_GNU}
- TMPDIR=$(mktemp -d)
- cmake -B ${TMPDIR} -DDAMASK_SOLVER=test -DCMAKE_INSTALL_PREFIX=${TMPDIR} -DCMAKE_BUILD_TYPE=RELEASE -DBUILDCMD_POST=-coverage
- cmake --build ${TMPDIR} --target install
- cd ${TMPDIR}
- ./bin/DAMASK_test
- find -name \*.gcda | xargs gcov
unittest_GNU_PERFORMANCE:
stage: compile
script:
- module load ${COMPILER_GNU} ${MPI_GNU} ${PETSC_GNU}
- TMPDIR=$(mktemp -d)
- cmake -B ${TMPDIR} -DDAMASK_SOLVER=test -DCMAKE_INSTALL_PREFIX=${TMPDIR} -DCMAKE_BUILD_TYPE=PERFORMANCE -DBUILDCMD_POST=-coverage
- cmake --build ${TMPDIR} --target install
- cd ${TMPDIR}
- ./bin/DAMASK_test
- find -name \*.gcda | xargs gcov
grid_GNU:
stage: compile
script:
@ -250,6 +284,6 @@ update_revision:
- >
git diff-index --quiet HEAD ||
git commit VERSION -m "[skip ci] updated version information after successful test of $VERSION"
- if [ ${CI_COMMIT_SHA} == $(git rev-parse HEAD^) ]; then git push origin HEAD:master HEAD:development; fi
- if [ ${CI_COMMIT_SHA} == $(git rev-parse HEAD^) ]; then git push --atomic --no-verify origin HEAD:development HEAD:master; fi
only:
- development

2
PRIVATE

@ -1 +1 @@
Subproject commit 12fe8685a2a2c1e37a8bb8e63e03130c99295023
Subproject commit d85026fccb1cad572a24ef19eefc36365df78a0f

2
VERSION
View File

@ -1 +1 @@
3.0.0-alpha7-696-gd2e279da1
3.0.0-alpha7-753-gaa28fe677

4
cmake/Compiler-GNU.cmake
View File

@ -29,8 +29,8 @@ set (COMPILE_FLAGS "${COMPILE_FLAGS} -cpp")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fPIE")
# position independent code
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132")
# restrict line length to the standard 132 characters (lattice.f90 require more characters)
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-none")
# PETSc macros are long, line length is enforced in pre-receive hook
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fimplicit-none")
# assume "implicit none" even if not present in source

2
cmake/Compiler-Intel.cmake
View File

@ -35,7 +35,7 @@ set (COMPILE_FLAGS "${COMPILE_FLAGS} -no-ftz")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
# disables warnings ...
set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
# ... the text exceeds right hand column allowed on the line (we have only comments there)
# ... the text exceeds right hand column allowed on the line (enforced by pre-receive hook)
set (COMPILE_FLAGS "${COMPILE_FLAGS},7624")
# ... about deprecated forall (has nice syntax and most likely a performance advantage)

2
cmake/Compiler-IntelLLVM.cmake
View File

@ -37,7 +37,7 @@ set (COMPILE_FLAGS "${COMPILE_FLAGS} -no-ftz")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
# disables warnings ...
set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
# ... the text exceeds right hand column allowed on the line (we have only comments there)
# ... the text exceeds right hand column allowed on the line (enforced by pre-receive hook)
set (COMPILE_FLAGS "${COMPILE_FLAGS},7624")
# ... about deprecated forall (has nice syntax and most likely a performance advantage)

8
examples/Marc/material.yaml
View File

@ -13,12 +13,12 @@ phase:
plastic:
type: phenopowerlaw
N_sl: [12]
a_sl: 2.25
a_sl: [2.25]
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 75.e+6
dot_gamma_0_sl: [0.001]
h_0_sl-sl: [75.e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
n_sl: [20]
output: [xi_sl]
xi_0_sl: [31.e+6]
xi_inf_sl: [63.e+6]

4
examples/config/phase/mechanical/plastic/kinehardening_317L.yaml
View File

@ -18,6 +18,6 @@ chi_inf: [0.027e+9] # τ_1,bs
h_0_chi: [55e+9] # θ_0,bs
h_inf_chi: [1.3e+9] # θ_1,bs
n: 20 # not mentioned in the reference
dot_gamma_0: 1e-4 # not mentioned in the reference
n: [20] # not mentioned in the reference
dot_gamma_0: [1e-4] # not mentioned in the reference
h_sl-sl: [1, 1, 1, 1, 1, 1, 1]

8
examples/config/phase/mechanical/plastic/phenopowerlaw_AA6022-T4.yaml
View File

@ -10,10 +10,10 @@ output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 20
a_sl: 3.7
h_0_sl-sl: 1.02e+9
dot_gamma_0_sl: [0.001]
n_sl: [20]
a_sl: [3.7]
xi_0_sl: [76.e+6]
xi_inf_sl: [266.e+6]
h_0_sl-sl: [1.02e+9]
h_sl-sl: [1, 1, 5.123, 0.574, 1.123, 1.123, 1]
dot_gamma_0_sl: 0.001

8
examples/config/phase/mechanical/plastic/phenopowerlaw_Al.yaml
View File

@ -10,10 +10,10 @@ output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 20
a_sl: 5.4
h_0_sl-sl: 281.5e+6
dot_gamma_0_sl: [7.5e-5]
n_sl: [20]
a_sl: [5.4]
xi_0_sl: [2.69e+6]
xi_inf_sl: [67.5e+6]
h_0_sl-sl: [0.2815e+9]
h_sl-sl: [1, 1, 5.123, 0.574, 1.123, 1.123, 1]
dot_gamma_0_sl: 7.5e-5

8
examples/config/phase/mechanical/plastic/phenopowerlaw_Au.yaml
View File

@ -15,10 +15,10 @@ output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 83.3
a_sl: 1.0
h_0_sl-sl: 75.0e+6
dot_gamma_0_sl: [0.001]
n_sl: [83.3]
a_sl: [1.0]
xi_0_sl: [26.25e+6]
xi_inf_sl: [53.0e+6]
h_0_sl-sl: [75.0e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
dot_gamma_0_sl: 0.001

8
examples/config/phase/mechanical/plastic/phenopowerlaw_Cu.yaml
View File

@ -10,10 +10,10 @@ output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 20
a_sl: 0.6
h_0_sl-sl: 3.5e+8
dot_gamma_0_sl: [3.e-3]
n_sl: [20]
a_sl: [0.6]
xi_0_sl: [1.6e+6]
xi_inf_sl: [96.4e+6]
h_0_sl-sl: [0.35e+9]
h_sl-sl: [1, 1, 5.123, 0.574, 1.123, 1.123, 1]
dot_gamma_0_sl: 3.e-3

8
examples/config/phase/mechanical/plastic/phenopowerlaw_DP-steel-ferrite.yaml
View File

@ -12,10 +12,10 @@ output: [xi_sl, gamma_sl]
N_sl: [12, 12]
n_sl: 20
a_sl: 2.25
h_0_sl-sl: 1.0e+9
dot_gamma_0_sl: [0.001, 0.001]
n_sl: [20, 20]
a_sl: [2.25, 2.25]
xi_0_sl: [95.e+6, 96.e+6]
xi_inf_sl: [222.e+6, 412.e+6]
h_0_sl-sl: [1.0e+9, 1.0e+9]
h_sl-sl: [1, 1.4, 1, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4]
dot_gamma_0_sl: 0.001

18
examples/config/phase/mechanical/plastic/phenopowerlaw_Mg.yaml
View File

@ -14,16 +14,16 @@ xi_0_sl: [10.e+6, 55.e+6, 60.e+6, 0., 60.e+6]
xi_inf_sl: [40.e+6, 135.e+6, 150.e+6, 0., 150.e+6]
xi_0_tw: [40.e+6, 0., 60.e+6]
a_sl: 2.25
dot_gamma_0_sl: 0.001
dot_gamma_0_tw: 0.001
n_sl: 20
n_tw: 20
f_sat_sl-tw: 10.0
a_sl: [2.25, 2.25, 2.25, 1, 2.25]
dot_gamma_0_sl: [0.001, 0.001, 0.001, 0, 0.001]
dot_gamma_0_tw: [0.001, 0, 0.001]
n_sl: [20, 20, 20, 1, 20]
n_tw: [20, 1, 20]
f_sat_sl-tw: [10.0, 10.0, 10.0, 0, 10.0]
h_0_sl-sl: 500.0e+6
h_0_tw-tw: 50.0e+6
h_0_tw-sl: 150.0e+6
h_0_sl-sl: [0.5e+9, 0.5e+9, 0.5e+9, 0, 0.5e+9]
h_0_tw-tw: [50.0e+6, 0, 50.0e+6]
h_0_tw-sl: [0.15e+9, 0, 0.15e+9]
h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, -1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0,

12
examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml
View File

@ -10,10 +10,10 @@ output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 20
a_sl: 0.9
h_0_sl-sl: 781.2e+6
xi_0_sl: [114.e+6]
xi_inf_sl: [207.e+6]
dot_gamma_0_sl: [0.001]
n_sl: [20]
a_sl: [0.9]
xi_0_sl: [0.114e+9]
xi_inf_sl: [0.207e+9]
h_0_sl-sl: [0.7812e+9]
h_sl-sl: [1, 1, 5.123, 0.574, 1.123, 1.123, 1]
dot_gamma_0_sl: 0.001

8
examples/config/phase/mechanical/plastic/phenopowerlaw_Sn-beta.yaml
View File

@ -9,9 +9,9 @@ output: [xi_sl, gamma_sl]
N_sl: [2, 2, 2, 4, 2, 4, 2, 2, 4, 0, 0, 8]
n_sl: 6.0
a_sl: 2.0
h_0_sl-sl: 20.0e+6
n_sl: [6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 1, 1, 6.0]
a_sl: [2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 1.0, 1.0, 2.0]
h_0_sl-sl: [20e+6, 20e+6, 20e+6, 20e+6, 20e+6, 20e+6, 20e+6, 20e+6, 20e+6, 0.0, 0.0, 20e+6]
xi_0_sl: [8.5e+6, 4.3e+6, 10.4e+6, 4.5e+6, 5.6e+6, 5.1e+6, 7.4e+6, 15.0e+6, 6.6e+6, 0.0, 0.0, 12.0e+6]
xi_inf_sl: [11.0e+6, 9.0e+6, 11.0e+6, 9.0e+6, 10.0e+6, 10.0e+6, 10.0e+6, 10.0e+6, 9.0e+6, 0.0, 0.0, 13.0e+6]
h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
@ -30,4 +30,4 @@ h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
-1.0, -1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
+1.0, -1.0, -1.0, 1.0, 1.0, -1.0, -1.0, 1.0, 1.0, 1.0, # 150
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0] # unused entries are indicated by -1.0
dot_gamma_0_sl: 2.6e-8
dot_gamma_0_sl: [2.6e-8, 2.6e-8, 2.6e-8, 2.6e-8, 2.6e-8, 2.6e-8, 2.6e-8, 2.6e-8, 2.6e-8, 1.0, 1.0, 2.6e-8]

12
examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml
View File

@ -12,17 +12,17 @@ output: [gamma_sl]
N_sl: [3, 3, 0, 12] # basal, prism, -, 1. pyr<c+a>
n_sl: 20
a_sl: 2.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 200.e+6
dot_gamma_0_sl: [0.001, 0.001, 0.0, 0.001]
n_sl: [20, 20, 1, 20]
a_sl: [2.0, 2.0, 1.0, 2.0]
# C. Zambaldi et al.:
xi_0_sl: [349.e+6, 150.e+6, 0.0, 1107.e+6]
xi_inf_sl: [568.e+6, 150.e+7, 0.0, 3420.e+6]
xi_0_sl: [0.349e+9, 0.15e+9, 0.0, 1.107e+9]
xi_inf_sl: [0.568e+9, 1.50e+9, 0.0, 3.420e+9]
# L. Wang et al. :
# xi_0_sl: [127.e+6, 96.e+6, 0.0, 240.e+6]
h_0_sl-sl: [0.2e+9, 0.2e+9, 0.0, 0.2e+9]
h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, -1.0, -1.0,
-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, 1.0,
+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,

14
examples/config/Phase_Phenopowerlaw_BCC-Martensite.yaml → examples/config/phase/mechanical/plastic/phenopowerlaw_bcc_martensite.yaml
View File

@ -1,12 +1,14 @@
# Tasan et.al. 2015 Acta Materalia
# Tasan et.al. 2015 International Journal of Plasticity
# Diehl et.al. 2015 Meccanica
N_sl: [12, 12]
a_sl: 2.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 563.0e+9
h_sl-sl: [1, 1.4, 1, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
type: phenopowerlaw
N_sl: [12, 12]
dot_gamma_0_sl: [0.001, 0.001]
n_sl: [20, 20]
a_sl: [2.0, 2.0]
xi_0_sl: [405.8e+6, 456.7e+6]
xi_inf_sl: [872.9e+6, 971.2e+6]
h_0_sl-sl: [563.0e+9, 563.0e+9]
h_sl-sl: [1, 1.4, 1, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4]

8
examples/grid/material.yaml
View File

@ -13,12 +13,12 @@ phase:
plastic:
type: phenopowerlaw
N_sl: [12]
a_sl: 2.25
a_sl: [2.25]
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 75.e+6
dot_gamma_0_sl: [0.001]
h_0_sl-sl: [75.e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
n_sl: [20]
output: [xi_sl]
xi_0_sl: [31.e+6]
xi_inf_sl: [63.e+6]

8
examples/mesh/material.yaml
View File

@ -12,12 +12,12 @@ phase:
plastic:
type: phenopowerlaw
N_sl: [12]
a_sl: 2.25
a_sl: [2.25]
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 75.e+6
dot_gamma_0_sl: [0.001]
h_0_sl-sl: [75.e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
n_sl: [20]
output: [xi_sl]
xi_0_sl: [31.e+6]
xi_inf_sl: [63.e+6]

49
install/MarcMentat/2023.1/Marc_tools/comp_damask_hmp.patch vendored Normal file
View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

49
install/MarcMentat/2023.1/Marc_tools/comp_damask_lmp.patch vendored Normal file
View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTRANLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

49
install/MarcMentat/2023.1/Marc_tools/comp_damask_mp.patch vendored Normal file
View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

75
install/MarcMentat/2023.1/Marc_tools/include_linux64.patch vendored Normal file
View File

@ -0,0 +1,75 @@
---
+++
@@ -172,6 +178,15 @@
MARC_COSIM_LIB="$MSCCOSIM_HOME/CoSim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib"
fi
+# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
+H5FC=$(h5fc -shlib -show)
+if [[ "$H5FC" == *"$dir is"* ]]; then
+ H5FC=$(echo $(echo "$H5FC" | tail -n1) | sed -e "s/\-shlib/-fPIC -qopenmp/g")
+ H5FC=${H5FC%-lmpifort*}
+fi
+HDF5_LIB=${H5FC//*ifort/}
+FCOMP="$H5FC"
+
# AEM
if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB"
@@ -604,7 +613,7 @@
PROFILE=" $PROFILE -pg"
fi
-FORT_OPT="-c -assume byterecl -safe-cray-ptr -mp1 -WB -fp-model source"
+FORT_OPT="-c -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe-cray-ptr -mp1 -WB -fp-model source"
if test "$MTHREAD" = "OPENMP"
then
FORT_OPT=" $FORT_OPT -qopenmp"
@@ -617,7 +626,7 @@
FORT_OPT=" $FORT_OPT -save -zero"
fi
if test "$MARCHDF_HDF" = "HDF"; then
- FORT_OPT="$FORT_OPT -DMARCHDF_HDF=$MARCHDF_HDF $HDF_INCLUDE"
+ FORT_OPT="$FORT_OPT -DMARCHDF=$MARCHDF_HDF"
fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
@@ -631,6 +640,29 @@
# for compiling free form f90 files. high opt, integer(4)
FORTF90="$FCOMP -c -O3"
+# determine DAMASK version
+if test -n "$DAMASK_USER"; then
+ DAMASKROOT=`dirname $DAMASK_USER`/../..
+ read DAMASKVERSION < $DAMASKROOT/VERSION
+ DAMASKVERSION="'"$DAMASKVERSION"'"
+else
+ DAMASKVERSION="'N/A'"
+fi
+
+# DAMASK compiler calls
+DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f18 -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=2023.1 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f18 -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=2023.1 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f18 -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=2023.1 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
@@ -788,7 +820,7 @@
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
-L$MARC_MKL \
- $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $MARC_LIB/libtetmeshinterface.a $MARC_LIB/libcaefatigueinterface.a -L$MARC_LIB -lmkl_blacs_intelmpi_ilp64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -ltetmesh -lmeshgems -lmg-tetra -lmeshgems_stubs -lmg-hybrid -lmg-cadsurf -lmg-hexa $HDF_LIBS $SOLVER2LIBS"
+ $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $MARC_LIB/libtetmeshinterface.a $MARC_LIB/libcaefatigueinterface.a -L$MARC_LIB -lmkl_blacs_intelmpi_ilp64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -ltetmesh -lmeshgems -lmg-tetra -lmeshgems_stubs -lmg-hybrid -lmg-cadsurf -lmg-hexa $HDF5_LIB $SOLVER2LIBS"
SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1

517
install/MarcMentat/2023.1/Marc_tools/run_damask_hmp.patch vendored Normal file
View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2023.1+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3330,6 +3273,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3343,6 +3287,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3389,7 +3336,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3555,7 +3502,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3568,21 +3515,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3592,39 +3539,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3643,6 +3578,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3684,6 +3620,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3777,7 +3716,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3902,7 +3841,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3915,20 +3854,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3938,37 +3877,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3987,6 +3914,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4027,7 +3955,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4146,7 +4076,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

517
install/MarcMentat/2023.1/Marc_tools/run_damask_lmp.patch vendored Normal file
View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2023.1+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3330,6 +3273,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3343,6 +3287,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3389,7 +3336,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3555,7 +3502,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3568,21 +3515,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3592,39 +3539,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3643,6 +3578,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3684,6 +3620,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3777,7 +3716,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3902,7 +3841,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3915,20 +3854,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3938,37 +3877,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3987,6 +3914,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4027,7 +3955,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4146,7 +4076,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

517
install/MarcMentat/2023.1/Marc_tools/run_damask_mp.patch vendored Normal file
View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2023.1+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3330,6 +3273,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3343,6 +3287,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3389,7 +3336,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3555,7 +3502,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3568,21 +3515,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3592,39 +3539,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3643,6 +3578,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3684,6 +3620,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3777,7 +3716,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3902,7 +3841,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3915,20 +3854,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3938,37 +3877,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3987,6 +3914,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4027,7 +3955,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4146,7 +4076,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

24
install/MarcMentat/2023.1/Mentat_bin/edit_window.patch vendored Normal file
View File

@ -0,0 +1,24 @@
---
+++
@@ -1,18 +1,5 @@
#!/bin/sh
-# This script opens a window running an editor. The default window is an
-# xterm, and the default editor is vi. These may be customized.
+# This script opens a window running an editor.
+# The command to invoke the editor is specified during DAMASK installation
-dir=
-for d in /usr/bin /usr/bin/X11; do
- if test -x "$d/xterm"; then
- dir="$d"
- break
- fi
-done
-
-if test -z "$dir"; then
- echo "$0: Could not find xterm"
- exit 1
-fi
-
-"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $*
+%EDITOR% $*

0
install/MarcMentat/2023.1/Mentat_bin/kill4.patch vendored Normal file
View File

0
install/MarcMentat/2023.1/Mentat_bin/kill5.patch vendored Normal file
View File

0
install/MarcMentat/2023.1/Mentat_bin/kill6.patch vendored Normal file
View File

38
install/MarcMentat/2023.1/Mentat_bin/submit4.patch vendored Normal file
View File

@ -0,0 +1,38 @@
---
+++
@@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
-if [ "$slv" == "marc" ]; then
+if [ "$slv" = "marc" ]; then
slv=""
fi
-if [ "$slv" == "datfit" ]; then
+if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
@@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -189,12 +190,12 @@
unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \
+ "${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
else # submit of a DoE Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \
+ "${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b n $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu

38
install/MarcMentat/2023.1/Mentat_bin/submit5.patch vendored Normal file
View File

@ -0,0 +1,38 @@
---
+++
@@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
-if [ "$slv" == "marc" ]; then
+if [ "$slv" = "marc" ]; then
slv=""
fi
-if [ "$slv" == "datfit" ]; then
+if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
@@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -189,12 +190,12 @@
unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \
+ "${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
else # submit of a DoE Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \
+ "${DIR}/tools/run_damask_mp" $slv -j $job -v n -b n $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu

38
install/MarcMentat/2023.1/Mentat_bin/submit6.patch vendored Normal file
View File

@ -0,0 +1,38 @@
---
+++
@@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
-if [ "$slv" == "marc" ]; then
+if [ "$slv" = "marc" ]; then
slv=""
fi
-if [ "$slv" == "datfit" ]; then
+if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
@@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -189,12 +190,12 @@
unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \
+ "${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
else # submit of a DoE Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \
+ "${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b n $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu

158
install/MarcMentat/2023.1/Mentat_menus/job_run.ms.patch vendored Normal file
View File

@ -0,0 +1,158 @@
---
+++
@@ -362,11 +362,18 @@
}
button {
position +25 =
- size 25 4
+ size 18 4
text "ADVANCED JOB SUBMISSION"
help "job_run#Job Submission And Control"
popmenu job_submit_adv_pm
}
+ button {
+ position +18 =
+ size 7 4
+ text "DAMASK"
+ help "damask_run#Job Submission And Control"
+ popmenu damask
+ }
button {
position 0 +4
size 16 4
@@ -1303,6 +1310,135 @@
}
+#--------------------------------------------------------------------------------------------------
+popmenu damask {
+
+#ifdef QT_MENTAT
+ text "DAMASK.MPIE.DE"
+#endif
+
+ group {
+#ifndef QT_MENTAT
+ label {
+ position 0 0
+ size 50 4
+ text "DAMASK.MPIE.DE"
+ }
+#endif
+
+ label {
+ position 1 6
+ size 13 6
+ text "Optimzation"
+ border_width 1
+ border_color black
+ }
+
+ label {
+ position +13 =
+ size 20 6
+ text "write Input"
+ border_width 1
+ border_color black
+ }
+
+ label {
+ position +18 =
+ size 30 6
+ text "do not write Inp."
+ border_width 1
+ border_color black
+ }
+
+ label {
+ position -32 +6
+ size 12 6
+ text "O3 / OpenMP"
+ border_width 1
+ border_color black
+ }
+
+ popdown {
+ position +12 =
+ size 20 6
+ text "Submit"
+ command "*submit_job 4 *monitor_job"
+ }
+
+ popdown {
+ position +20 =
+ size 20 6
+ text "Execute"
+ command "*execute_job 4 *monitor_job"
+ }
+
+ label {
+ position -32 +6
+ size 12 6
+ text "O1 / OpenMP"
+ border_width 1
+ border_color black
+ }
+
+ popdown {
+ position +12 =
+ size 20 6
+ text "Submit"
+ command "*submit_job 5 *monitor_job"
+ }
+
+ popdown {
+ position +20 =
+ size 20 6
+ text "Execute"
+ command "*execute_job 5 *monitor_job"
+ }
+
+ label {
+ position -32 +6
+ size 12 6
+ text "O0 / OpenMP"
+ border_width 1
+ border_color black
+ }
+
+ popdown {
+ position +12 =
+ size 20 6
+ text "Submit"
+ command "*submit_job 6 *monitor_job"
+ }
+
+ popdown {
+ position +20 =
+ size 20 6
+ text "Execute"
+ command "*execute_job 6 *monitor_job"
+ }
+
+ popdown {
+ position 19 +8
+ size 12 8
+ text "CANCEL"
+ }
+}
+
+ window {
+ parent mentat
+ origin 38 8
+#ifdef DCOM
+ size 50 100
+#else
+ size 50 94
+#endif
+ background_color body
+ border_width 1
+ border_color border
+ buffering single
+ }
+ mode permanent
+}
+
#--------------------------------------------------------------------------------------------------
popmenu job_exit_msg_pm {

2
python/damask/solver/_marc.py
View File

@ -4,7 +4,7 @@ import re
from pathlib import Path
from typing import Literal
_marc_version = '2022.4'
_marc_version = '2023.1'
_marc_root = '/opt/msc'
_damask_root = str(Path(__file__).parents[3])

16
python/tests/resources/Result/12grains6x7x8.material.yaml vendored
View File

@ -12,12 +12,12 @@ phase:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke}
plastic:
N_sl: [12]
a_sl: 2.25
a_sl: [2.25]
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 75e6
dot_gamma_0_sl: [0.001]
h_0_sl-sl: [75e6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
n_sl: [20]
output: [xi_sl]
type: phenopowerlaw
xi_0_sl: [31e6]
@ -29,12 +29,12 @@ phase:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke}
plastic:
N_sl: [12]
a_sl: 2.25
a_sl: [2.25]
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 75e6
dot_gamma_0_sl: [0.001]
h_0_sl-sl: [75e6]
h_sl-sl: [1, 1.4, 1, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
n_sl: [20]
output: [xi_sl]
type: phenopowerlaw
xi_0_sl: [31e6]

16
python/tests/resources/Result/4grains2x4x3.material.yaml vendored
View File

@ -644,12 +644,12 @@ phase:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke}
plastic:
N_sl: [12]
a_sl: 2.25
a_sl: [2.25]
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 75e6
dot_gamma_0_sl: [0.001]
h_0_sl-sl: [75e6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
n_sl: [20]
output: [xi_sl]
type: phenopowerlaw
xi_0_sl: [31e6]
@ -661,12 +661,12 @@ phase:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke}
plastic:
N_sl: [12]
a_sl: 2.25
a_sl: [2.25]
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 75e6
dot_gamma_0_sl: [0.001]
h_0_sl-sl: [75e6]
h_sl-sl: [1, 1.4, 1, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
n_sl: [20]
output: [xi_sl]
type: phenopowerlaw
xi_0_sl: [31e6]

8
python/tests/resources/Result/6grains6x7x8_single_phase.material.yaml vendored
View File

@ -12,12 +12,12 @@ phase:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke}
plastic:
N_sl: [12]
a_sl: 2.25
a_sl: [2.25]
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl-sl: 75e6
dot_gamma_0_sl: [0.001]
h_0_sl-sl: [75e6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
n_sl: [20]
output: [xi_sl]
type: phenopowerlaw
xi_0_sl: [31e6]

4
src/CLI.f90
View File

@ -178,7 +178,7 @@ subroutine CLI_init()
case ('-r', '--rs', '--restart')
if (.not. hasArg) call IO_error(610,ext_msg='--jobname')
arg = getArg(i+1)
read(arg,*,iostat=stat) CLI_restartInc
CLI_restartInc = IO_strAsInt(arg)
if (CLI_restartInc < 0 .or. stat /= 0) call IO_error(611,ext_msg=arg)
end select
end do
@ -210,6 +210,8 @@ subroutine CLI_init()
print'(1x,a)', 'Geometry: '//IO_glueDiffering(CLI_geomFile,geomArg)
print'(1x,a)', 'Load case: '//IO_glueDiffering(CLI_loadFile,loadArg)
print'(1x,a)', 'Material config: '//IO_glueDiffering(CLI_materialFile,materialArg)
if (allocated(numericsArg)) &
print'(1x,a)', 'Numerics config: '//IO_glueDiffering(CLI_numericsFile,numericsArg)
print'(1x,a)', 'Solver job name: '//getSolverJobname()
if (CLI_restartInc > 0) &
print'(1x,a,i6.6)', 'Restart from increment: ', CLI_restartInc

15
src/CMakeLists.txt
View File

@ -1,10 +1,3 @@
# special flags for some files
if(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
# long lines for interaction matrix
set_source_files_properties("crystal.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240")
set_source_files_properties("parallelization.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-none")
endif()
file(GLOB damask-sources CONFIGURE_DEPENDS *.f90 *.c)
if(PROJECT_NAME STREQUAL "damask-grid")
@ -18,14 +11,6 @@ elseif(PROJECT_NAME STREQUAL "damask-test")
file(GLOB solver-sources CONFIGURE_DEPENDS test/*.f90)
endif()
foreach(solver-source ${solver-sources})
file(READ ${solver-source} content)
string(FIND "${content}" "CHKERR" found)
if((NOT ${found} EQUAL -1) AND (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU"))
set_source_files_properties(${solver-source} PROPERTIES COMPILE_FLAGS "-ffree-line-length-none")
endif()
endforeach()
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable(${executable-name} ${damask-sources} ${solver-sources})

4
src/HDF5_utilities.f90
View File

@ -6,6 +6,7 @@
!> @author Philip Eisenlohr, Michigan State University
!--------------------------------------------------------------------------------------------------
module HDF5_utilities
use IO
use HDF5
#ifdef PETSC
#include <petsc/finclude/petscsys.h>
@ -190,6 +191,7 @@ integer(HID_T) function HDF5_openFile(fileName,mode,parallel)
character :: m
integer(HID_T) :: plist_id
integer :: hdferr
logical :: exist
m = misc_optional(mode,'r')
@ -214,6 +216,8 @@ integer(HID_T) function HDF5_openFile(fileName,mode,parallel)
call H5Fopen_f(fileName,H5F_ACC_RDWR_F,HDF5_openFile,hdferr,access_prp = plist_id)
call HDF5_chkerr(hdferr)
elseif (m == 'r') then
inquire(file=fileName,exist=exist)
if (.not. exist) call IO_error(100,trim(fileName))
call H5Fopen_f(fileName,H5F_ACC_RDONLY_F,HDF5_openFile,hdferr,access_prp = plist_id)
call HDF5_chkerr(hdferr)
else

7
src/IO.f90
View File

@ -26,6 +26,7 @@ module IO
public :: &
IO_init, &
IO_selfTest, &
IO_read, &
IO_readlines, &
IO_isBlank, &
@ -55,7 +56,7 @@ subroutine IO_init()
print'(/,1x,a)', '<<<+- IO init -+>>>'; flush(IO_STDOUT)
call selfTest()
call IO_selfTest()
end subroutine IO_init
@ -763,7 +764,7 @@ end subroutine panel
!--------------------------------------------------------------------------------------------------
!> @brief Check correctness of some IO functions.
!--------------------------------------------------------------------------------------------------
subroutine selfTest()
subroutine IO_selfTest()
integer, dimension(:), allocatable :: chunkPos
character(len=:), allocatable :: str,out
@ -846,6 +847,6 @@ subroutine selfTest()
if ('abc,'//IO_EOL//'xxdefg,'//IO_EOL//'xxhij' /= IO_wrapLines('abc,defg, hij',filler='xx',length=4)) &
error stop 'IO_wrapLines/7'
end subroutine selfTest
end subroutine IO_selfTest
end module IO

471
src/Marc/include/concom2023.1 vendored Normal file
View File

@ -0,0 +1,471 @@
! common block definition file taken from respective MSC.Marc release and reformated to free format
!***********************************************************************
!
! File: concom.cmn
!
! MSC.Marc include file
!
integer &
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror,&
icsprg, imol, imolt, idatafit,iharmpar, inclcase, imultifreq,init_elas, ifatig, iftgmat,&
nchybrid, ibuckle, iexpande, matfor
dimension :: ideva(60)
integer num_concom
parameter(num_concom=264)
common/marc_concom/&
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror,&
icsprg, imol, imolt, idatafit,iharmpar, inclcase, imultifreq,init_elas, ifatig, iftgmat,&
nchybrid, ibuckle, iexpande, matfor
!
! comments of variables:
!
! iacous Control flag for acoustic analysis. Input data.
! iacous=1 modal acoustic analysis.
! iacous=2 harmonic acoustic-structural analysis.
! iasmbl Control flag to indicate that operator matrix should be
! recalculated.
! iautth Control flag for AUTO THERM option.
! ibear Control flag for bearing analysis. Input data.
! icompl Control variable to indicate that a complex analysis is
! being performed. Either a Harmonic analysis with damping,
! or a harmonic electro-magnetic analysis. Input data.
! iconj Flag for EBE conjugate gradient solver (=solver 1, retired)
! Also used for VKI iterative solver.
! icreep Control flag for creep analysis. Input data.
! ideva(60) - debug print out flag
! 1 print element stiffness matrices, mass matrix
! 2 output matrices used in tying
! 3 force the solution of a nonpositive definite matrix
! 4 print info of connections to each node
! 5 info of gap convergence, internal heat generated, contact
! touching and separation
! 6 nodal value array during rezoning
! 7 tying info in CONRAD GAP option, fluid element numbers in
! CHANNEL option
! 8 output incremental displacements in local coord. system
! 9 latent heat output
! 10 stress-strain in local coord. system
! 11 additional info on interlaminar stress
! 12 output right hand side and solution vector
! 13 info of CPU resources used and memory available on NT
! 14 info of mesh adaption process, 2D outline information
! info of penetration checking for remeshing
! save .fem files after afmesh3d meshing
! print local adaptivity info
! 15 surface energy balance flag
! 16 print info regarding pyrolysis
! 17 print info of "streamline topology"
! 18 print mesh data changes after remeshing
! 19 print material flow stress data read in from *.mat file
! if unit flag is on, print out flow stress after conversion
! 20 print information on table input
! 21 print out information regarding kinematic boundary conditions
! 22 print out information regarding dist loads, point loads, film
! and foundations
! 23 print out information about automatic domain decomposition
! 24 print out iteration information in SuperForm status report file
! 25 print out information for ablation
! 26 print out information for films - Table input
! 27 print out the tying forces
! 28 print out for CASI solver, convection,
! 29 DDM single file debug printout
! 30 print out cavity debug info
! 31 print out welding related info
! 32 prints categorized DDM memory usage
! 33 print out the cutting info regarding machining feature
! 34 print out the list of quantities which can be defined via a table
! and for each quantity the supported independent variables
! 35 print out detailed coupling region info
! 36 print out solver debug info level 1 (Least Detailed)
! 37 print out solver debug info level 1 (Medium Detailed)
! 38 print out solver debug info level 1 (Very Detailed)
! 39 print detailed memory allocation info
! 40 print out marc-adams debug info
! 41 output rezone mapping post file for debugging
! 42 output post file after calling oprofos() for debugging
! 43 debug printout for vcct
! 44 debug printout for progressive failure
! 45 print out automatically generated midside node coordinates (arecrd)
! 46 print out message about routine and location, where the ibort is raised (ibort_inc)
! 47 print out summary message of element variables on a
! group-basis after all the automatic changes have been
! made (em_ellibp)
! 48 Automatically generate check results based on max and min vals.
! These vals are stored in the checkr file, which is inserted
! into the *dat file by the generate_check_results script from /marc/tools
! 49 Automatically generate check results based on the real calculated values
! at the sppecified check result locations.
! These vals are stored in the checkr file, which is inserted
! into the *dat file by the update_check_results script from /marc/tools
! 50 generate a file containing the resistance or capacity matrix;
! this file can be used to compare results with a reference file
! 51 print out detailed information for segment-to-segment contact
! 52 print out detailed relative displacement information
! for uniaxial sliding contact
! 53 print out detailed sliding direction information for
! uniaxial sliding contact
! 54 print out detailed information for edges attached to a curve
! 55 print information related to viscoelasticity calculations
! 56 print out detailed information for element coloring for multithreading
! 57 print out extra overheads due to multi-threading.
! These overhead includes (i) time and (ii) memory.
! The memory report will be summed over all the children.
! 58 debug output for ELSTO usage
! 59 print out contact body forces and nodes in contact
!
! idyn Control flag for dynamics. Input data.
! 1 = eigenvalue extraction and / or modal superposition
! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1)
! 3 = Houbolt
! 4 = Central difference
! 5 = Newer central difference
! idynt Copy of idyn at begining of increment
! ielas Control flag for ELASTIC analysis. Input data.
! Set by user or automatically turned on by Fourier option.
! Implies that each load case is treated separately.
! In Adaptive meshing analysis , forces re-analysis until
! convergence obtained.
! Also seriously misused to indicate no convergence.
! = 1 elastic option with fourier analysis
! = 2 elastic option without fourier analysis
! =-1 no convergence in recycles or max # increments reached
! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used,
! or if fourier option is used.
! Then set to 2 if not fourier analysis.
! ielcma Control flag for electromagnetic analysis. Input data.
! ielcma = 1 Harmonic formulation
! ielcma = 2 Transient formulation
! ielect Control flag for electrostatic option. Input data.
! iform Control flag indicating that contact will be performed.
! ifour Control flag for Fourier analysis.
! 0 = Odd and even terms.
! 1 = symmetric (cosine) terms
! 2 = antisymmetric (sine) terms.
! iharm Control flag to indicate that a harmonic analysis will
! be performed. May change between passes.
! ihcps Control flag for coupled thermal - stress analysis.
! iheat Control flag for heat transfer analysis. Input data.
! iheatt Permanent control flag for heat transfer analysis.
! Note in coupled analysis iheatt will remain as one,
! but iheat will be zero in stress pass.
! ihresp Control flag to indicate to perform a harmonic subincrement.
! ijoule Control flag for Joule heating.
! ilem Control flag to determin which vector is to be transformed.
! Control flag to see where one is:
! ilem = 1 - elem.f
! ilem = 2 - initst.f
! ilem = 3 - pressr.f
! ilem = 3 - fstif.f
! ilem = 4 - jflux.f
! ilem = 4 - strass.f
! ilem = 5 - mass.f
! ilem = 5 - osolty.f
! ilnmom Control flag for soil - pore pressure calculation. Input data.
! ilnmom = 0 - perform only pore pressure calculation.
! = 1 - couples pore pressure - displacement analysis
! iloren Control flag for DeLorenzi J-Integral evaluation. Input data.
! inc Increment number.
! incext Control flag indicating that currently working on a
! subincrement.
! Could be due to harmonics , damping component (bearing),
! stiffness component (bearing), auto therm creep or
! old viscoplaticity
! incsub Sub-increment number.
! inonlcl control flag for nonlocal pass
! inonlct permanent control flag for nonlocal pass
! ipass Control flag for which part of coupled analysis.
! ipass = -1 - reset to base values
! ipass = 0 - do nothing
! ipass = 1 - stress part
! ipass = 2 - heat transfer part
! 3 - fluid pass
! 4 - joule heating pass
! 5 - pore pressure pass
! 6 - electrostatic pass
! 7 - magnetostatic pass
! 8 - electromagnetic pass
! 9 - diffusion pass
! ipass = 10 - nonlocal part
! iplres Flag indicating that either second matrix is stored.
! dynamic analysis - mass matrix
! heat transfer - specific heat matrix
! buckle - initial stress stiffness
! ipois Control flag indicating Poisson type analysis
! ipois = 1 for heat transfer
! = 1 for heat transfer part of coupled
! = 1 for bearing
! = 1 for electrostatic
! = 1 for magnetostatic
! = 1 for nonlocal part
! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0
! in stress portion, yet ipoist will still =1.
! irpflo global flag for rigid plastic flow analysis
! = 1 eularian formulation
! = 2 regular formulation; rigid material present in the analysis
! ismall control flag to indicate small displacement analysis. input data.
! ismall = 0 - large disp included.
! ismall = 1 - small displacement.
! the flag is changing between passes.
! ismalt permanent copy of ismall . in heat transfer portion of
! coupled analysis ismall =0 , but ismalt remains the same.
! isoil control flag indicating that soil / pore pressure
! calculation . input data.
! ispect control flag for response spectrum calculation. input data.
! ispnow control flag to indicate to perform a spectrum response
! calculation now.
! istore store stresses flag.
! istore = 0 in elem.f and if first pass of creep
! convergence checking in ogetst.f
! or harmonic analysis or thruc.f if not
! converged.
! iswep control flag for eigenvalue analysis.
! iswep=1 - go do extraction process
! ithcrp control flag for auto therm creep option. input data.
! itherm control flag for either temperature dependent material
! properties and/or thermal loads.
! iupblg control flag for follower force option. input data.
! iupdat control flag for update lagrange option for current element.
! jacflg control flag for lanczos iteration method. input data.
! jel control flag indicating that total load applied in
! increment, ignore previous solution.
! jel = 1 in increment 0
! = 1 if elastic or fourier
! = 1 in subincrements with elastic and adaptive
! jparks control flag for j integral by parks method. input data.
! largst control flag for finite strain plasticity. input data.
! lfond control variable that indicates if doing elastic
! foundation or film calculation. influences whether
! this is volumetric or surface integration.
! loadup control flag that indicates that nonlinearity occurred
! during previous increment.
! loaduq control flag that indicates that nonlinearity occurred.
! lodcor control flag for switching on the residual load correction.
! notice in input stage lodcor=0 means no loadcor,
! after omarc lodcor=1 means no loadcor
! lovl control flag for determining which "overlay" is to
! be called from ellib.
! lovl = 1 omarc
! = 2 oaread
! = 3 opress
! = 4 oasemb
! = 5 osolty
! = 6 ogetst
! = 7 oscinc
! = 8 odynam
! = 9 opmesh
! = 10 omesh2
! = 11 osetz
! = 12 oass
! = 13 oincdt
! = 14 oasmas
! = 15 ofluas
! = 16 ofluso
! = 17 oshtra
! = 18 ocass
! = 19 osoltc
! = 20 orezon
! = 21 otest
! = 22 oeigen
! lsub control variable to determine which part of element
! assembly function is being done.
! lsub = 1 - no longer used
! = 2 - beta*
! = 3 - cons*
! = 4 - ldef*
! = 5 - posw*
! = 6 - theta*
! = 7 - tmarx*
! = 8 - geom*
! magnet control flag for magnetostatic analysis. input data.
! ncycle cycle number. accumulated in osolty.f
! note first time through oasemb.f , ncycle = 0.
! newtnt control flag for permanent copy of newton.
! newton iteration type. input data.
! newton : = 1 full newton raphson
! 2 modified newton raphson
! 3 newton raphson with strain correct.
! 4 direct substitution
! 5 direct substitution followed by n.r.
! 6 direct substitution with line search
! 7 full newton raphson with secant initial stress
! 8 secant method
! 9 full newton raphson with line search
! noshr control flag for calculation interlaminar shears for
! elements 22,45, and 75. input data.
!ees
!
! jactch = 1 or 2 if elements are activated or deactivated
! = 3 if elements are adaptively remeshed or rezoned
! = 0 normally / reset to 0 when assembly is done
! ifricsh = 0 call to fricsh in otest not needed
! = 1 call to fricsh (nodal friction) in otest needed
! iremkin = 0 remove deactivated kinematic boundary conditions
! immediately - only in new input format (this is default)
! = 1 remove deactivated kinematic boundary conditions
! gradually - only in new input format
! iremfor = 0 remove force boundary conditions immediately -
! only in new input format (this is default)
! = 1 remove force boundary conditions gradually -
! only in new input format (this is default)
! ishearp set to 1 if shear panel elements are present in the model
!
! jspf = 0 not in spf loadcase
! > 0 in spf loadcase (jspf=1 during first increment)
! machining = 1 if the metal cutting feature is used, for memory allocation purpose
! = 0 (default) if no metal cutting feature required
!
! jlshell = 1 if there is a shell element in the mesh
! icompsol = 1 if there is a composite solid element in the mesh
! iupblgfo = 1 if follower force for point loads
! jcondir = 1 if contact priority option is used
! nstcrp = 0 (default) steady state creep flag (undocumented feature.
! if not 0, turns off special ncycle = 0 code in radial.f)
! nactive = number of active passes, if =1 then it's not a coupled analysis
! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref
! icheckmpc = value of mpc-check parameter option
! noline = set to 1 in osolty if no line seacrh should be done in ogetst
! icuring = set to 1 if the curing is included for the heat transfer analysis.
! ishrink = set to 1 if shrinkage strain is included for mechancial analysis.
! ioffsflg = 1 for small displacement beam/shell offsets
! = 2 for large displacement beam/shell offsets
! isetoff = 0 - do not apply beam/shell offsets
! = 1 - apply beam/shell offsets
! ioffsetm = min. value of offset flag
! iharmt = 1 global flag if a coupled analysis contains an harmonic pass
! inc_incdat = flag to record increment number of a new loadcase in incdat.f
! iautspc = flag for AutoSPC option
! ibrake = brake squeal in this increment
! icbush = set to 1 if cbush elements present in model
! istream_input = set to 1 for streaming input calling Marc as library
! iprsinp = set to 1 if pressure input, introduced so other variables
! such as h could be a function of pressure
! ivlsinp = set to 1 if velocity input, introduced so other variables
! such as h could be a function of velocity
! ipin_m = # of beam element with PIN flag
! jgnstr_glb = global control over pre or fast integrated composite shells
! imarc_return = Marc return flag for streaming input control
! iqvcimp = if non-zero, then the number of QVECT boundary conditions
! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered
! istpnx = 1 if to stop at end of increment
! imicro1 = 1 if micro1 interface is used
! iaxisymm = set to 1 if axisymmetric analysis
! jbreakglue = set to 1 if breaking glued option is used
! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9)
! jfastasm = 1 do fast assembly using SuperForm code
! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated
! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation
! imixmeth = set=1 then use nonlinear mixture material - allocate memory
! ielcmadyn = flag for magnetodynamics
! 0 - electromagnetics using newmark beta
! 1 - transient magnetics using backward euler
! idinout = flag to control if inside out elements should be deactivated
! igena_meth = 0 - generalized alpha parameters depend on whether or not contact
! is flagged (dynamic,7)
! 10 - generalized alpha parameters are optimized for a contact
! analysis (dynamic,8)
! 11 - generalized alpha parameters are optimized for an analysis
! without contact (dynamic,8)
! magf_meth = - Method to compute force in magnetostatic - structural
! = 1 - Virtual work method based on finite difference for the force computation
! = 2 - Maxwell stress tensor
! = 3 - Virtual work method based on local derivative for the force computation
! non_assumed = 1 no assumed strain formulation (forced)
! iredoboudry set to 1 if contact boundary needs to be recalculated
! ioffsz0 = 1 if composite are used with reference position.ne.0
! icomplt = 1 global flag if a coupled analysis contains an complex pass
! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural
! one for magnetodynamic and the other for the remaining passes
! iactrp = 1 in an analysis with global remeshing, include inactive
! rigid bodies on post file
! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass
!
! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading)
! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb
! iaem = 1 if marc is called from aem (0 - off - default)
! icosim = 1 if marc is used in co-simulation analysis with ADAMS using the CosimEngine
! = 2 if marc is used in co-simulation analysis with ADAMS using the ACSI interface
! = 3 if marc is used in co-simulation analysis with scFLOW using the CosimEngine
! = 4 if marc is used in co-simulation analysis with scFLOW and ADAMS using the CosimEngine
! inodels = 1 nodal integration elements 239/240/241 present
! nlharm = 0 harmonic subincrements are linear
! = 1 harmonic subincrements are nonlinear
! iampini = 0 amplitude of previous harmonic subinc is initial estimate (default)
! = 1 zero amplitude is initial estimate
! iphasetr = 1 phase transformation material model is used
! iforminp flag indicating that contact is switched on via the CONTACT
! option in the input file (as opposed to the case that contact
! is switched on internally due to cyclic symmetry or model
! section creation)
! ispecerror = a+10*b (only for spectrum response analysis with missing mass option)
! a=0 or a=1 (modal shape with non-zero shift)
! b=0 or b=1 (recover with new assembly of stiffness matrix)
! icsprg = set to 1 if spring elements present in model
! imol Control flag for molecualr diffusion pass
! imolt Permanent control flag for molecualr diffusion pass
! Note in coupled analysis imolt will remain as one,
! but imol will be zero in stress pass or thermal pass.
! idatafit = run Marc to fit parameters
! iharmpar = 1 if harmonic parameter option is used
! inclcase load case increment use for cyclic plasticity data fitting
! imultifreq flag to indicate how many harmonic magnetodynamic passes are computed in coupled
! magnetodynamic/thermal(/structural) analyses.
! 0 or 1 one pass 2 two passes 3 or more is not supported
! init_elas use elastic stress-strain law as the material tangent for
! the first cycle of an increment
! ifatig packed integer telling which fatigue mode is active
! 1 = elastomer
! 10 = stress-life
! 100 = strain-life
! = 2 strain-life fatigue
! iftgmat = 0 no fatigue material properties in the dat file
! = 1 fatigue material properties in the dat file
! nchybrid cycle count used for hybrid contact; meant to force an extra iteration
! if the overlap for a node in hybrid contact is too large
! ibuckle buckle parameter option is active
! iexpande set to 1 if expanded elements (248, 249, 250 or 251) are
! present, 0 otherwise
! matfor flag for material forces computation
! 0: Eshleby stress and material force vector not requested
! 1: output Eshelby stress tensor, but no material force vector
! 2: output material force vector, but no Eshelby stress tensor
! 3: output Eshelby stress tensor and material force vector
!
!***********************************************************************
!$omp threadprivate(/marc_concom/)
!!

73
src/Marc/include/creeps2023.1 vendored Normal file
View File

@ -0,0 +1,73 @@
! common block definition file taken from respective MSC.Marc release and reformated to free format
!***********************************************************************
!
! File: creeps.cmn
!
! MSC.Marc include file
!
real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b
integer icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,&
icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst
real(pReal) fraction_donn,timinc_ol2
!
integer num_creepsr,num_creepsi,num_creeps2r,ncrp_arry
parameter(num_creepsr=7)
parameter(num_creepsi=17)
parameter(num_creeps2r=6)
parameter(ncrp_arry=7)
common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,&
icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst,fraction_donn,timinc_ol2
!
! cptim Total time at begining of increment.
! timinc Incremental time for this step.
! icfte Local copy number of slopes of creep strain rate function
! versus temperature. Is -1 if exponent law used.
! icfst Local copy number of slopes of creep strain rate function
! versus equivalent stress. Is -1 if exponent law used.
! icfeq Local copy number of slopes of creep strain rate function
! versus equivalent strain. Is -1 if exponent law used.
! icftm Local copy number of slopes of creep strain rate function
! versus time. Is -1 if exponent law used.
! icetem Element number that needs to be checked for creep convergence
! or, if negative, the number of elements that need to
! be checked. In the latter case the elements to check
! are stored in ielcp.
! mcreep Maximum nuber of iterations for explicit creep.
! jcreep Counter of number of iterations for explicit creep
! procedure. jcreep must be .le. mcreep
! icpa(1-6) Pointer to constants in creep strain rate expression.
! icftmp Pointer to temperature dependent creep strain rate data.
! icfstr Pointer to equivalent stress dependent creep strain rate data.
! icfqcp Pointer to equivalent creep strain dependent creep strain
! rate data.
! icfcpm Pointer to equivalent creep strain rate dependent
! creep strain rate data.
! icrppr Permanent copy of icreep
! icrcha Control flag for creep convergence checking , if set to
! 1 then testing on absolute change in stress and creep
! strain, not relative testing. Input data.
! icpb(1-4) Pointer to storage of material id cross reference numbers.
! iicpmt creep law type ID
! =1 - power law
! =2 - solder
! =3 - steady-creep
! =4 - hyperbolic steady-creep
! iicpa Pointer to table IDs for constants in creep strain rate
! expression
!
!
! time_beg_lcase time at the beginning of the current load case
! time_beg_inc time at the beginning of the current increment
! fractol fraction of loadcase or increment time when we
! consider it to be finished
! time_beg_pst time corresponding to first increment to be
! read in from thermal post file for auto step
!
! timinc_old Time step of the previous increment
!
!***********************************************************************
!!$omp threadprivate(/marc_creeps/)
!!$omp threadprivate(/marc_creeps2/)
!!

4
src/YAML_parse.f90
View File

@ -162,7 +162,7 @@ end function parse_flow
!> @brief Find location of chunk end: ',' '}', or ']'.
!> @details leaves nested lists ( '[...]' and dicts '{...}') intact
!--------------------------------------------------------------------------------------------------
integer function find_end(str,e_char)
integer(pI64) function find_end(str,e_char)
character(len=*), intent(in) :: str !< chunk of YAML flow string
character, intent(in) :: e_char !< end of list/dict ( '}' or ']')
@ -456,7 +456,7 @@ end subroutine remove_line_break
!--------------------------------------------------------------------------------------------------
subroutine list_item_inline(blck,s_blck,inline,offset)
character(len=*), intent(in) :: blck !< YAML in mixed style
character(len=*), intent(in) :: blck !< YAML in mixed style
integer, intent(inout) :: s_blck
character(len=:), allocatable, intent(out) :: inline
integer, intent(inout) :: offset

10
src/YAML_types.f90
View File

@ -1166,7 +1166,10 @@ function tDict_get_as1dReal(self,k,defaultVal,requiredSize) result(nodeAs1dReal)
end if
if (present(requiredSize)) then
if (requiredSize /= size(nodeAs1dReal)) call IO_error(146,ext_msg=k)
if (requiredSize /= size(nodeAs1dReal)) &
call IO_error(146,ext_msg=k, &
label1='actual',ID1=size(nodeAs1dReal), &
label2='required',ID2=requiredSize)
end if
end function tDict_get_as1dReal
@ -1251,7 +1254,10 @@ function tDict_get_as1dInt(self,k,defaultVal,requiredSize) result(nodeAs1dInt)
end if
if (present(requiredSize)) then
if (requiredSize /= size(nodeAs1dInt)) call IO_error(146,ext_msg=k)
if (requiredSize /= size(nodeAs1dInt)) &
call IO_error(146,ext_msg=k, &
label1='actual',ID1=size(nodeAs1dInt), &
label2='required',ID2=requiredSize)
end if
end function tDict_get_as1dInt

7
src/crystal.f90
View File

@ -377,6 +377,7 @@ module crystal
public :: &
crystal_init, &
crystal_selfTest, &
crystal_isotropic_nu, &
crystal_isotropic_mu, &
crystal_symmetrize_33, &
@ -412,7 +413,7 @@ subroutine crystal_init()
print'(/,1x,a)', '<<<+- crystal init -+>>>'; flush(IO_STDOUT)
call selfTest()
call crystal_selfTest()
end subroutine crystal_init
@ -2226,7 +2227,7 @@ end function crystal_isotropic_mu
!--------------------------------------------------------------------------------------------------
!> @brief Check correctness of some crystal functions.
!--------------------------------------------------------------------------------------------------
subroutine selfTest
subroutine crystal_selfTest
real(pREAL), dimension(:,:,:), allocatable :: CoSy
real(pREAL), dimension(:,:), allocatable :: system
@ -2333,6 +2334,6 @@ subroutine selfTest
if (dNeq(crystal_isotropic_nu(C,'isostress','cF'), crystal_isotropic_nu(C,'isostress'), 1.0e-12_pREAL)) &
error stop 'isotropic_nu/isostress/cF-tI'
end subroutine selfTest
end subroutine crystal_selfTest
end module crystal

2
src/grid/DAMASK_grid.f90
View File

@ -111,8 +111,6 @@ program DAMASK_grid
num_solver, &
num_grid, &
solver
type(tList), pointer :: &
load_steps
character(len=:), allocatable :: &
fileContent, fname

6
src/grid/grid_mech_spectral_basic.f90
View File

@ -82,12 +82,6 @@ module grid_mechanical_spectral_basic
err_BC, & !< deviation from stress BC
err_div !< RMS of div of P
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
type(MPI_Status) :: status
#else
integer, dimension(MPI_STATUS_SIZE) :: status
#endif
integer :: &
totalIter = 0 !< total iteration in current increment

6
src/grid/grid_mech_spectral_polarization.f90
View File

@ -94,12 +94,6 @@ module grid_mechanical_spectral_polarization
err_curl, & !< RMS of curl of F
err_div !< RMS of div of P
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
type(MPI_Status) :: status
#else
integer, dimension(MPI_STATUS_SIZE) :: status
#endif
integer :: &
totalIter = 0 !< total iteration in current increment

1
src/grid/grid_thermal_spectral.f90
View File

@ -189,7 +189,6 @@ function grid_thermal_spectral_solution(Delta_t) result(solution)
real(pREAL), intent(in) :: &
Delta_t !< increment in time for current solution
integer :: i, j, k, ce
type(tSolutionState) :: solution
PetscInt :: devNull
PetscReal :: T_min, T_max, stagNorm

28
src/math.f90
View File

@ -27,8 +27,10 @@ module math
#if __INTEL_COMPILER >= 1900
! do not make use of associated entities available to other modules
private :: &
misc, &
IO, &
config
config, &
parallelization
#endif
real(pREAL), parameter :: &
@ -38,11 +40,11 @@ module math
INRAD = TAU/360.0_pREAL !< conversion from degree to radian
real(pREAL), dimension(3,3), parameter :: &
math_I3 = reshape([&
1.0_pREAL,0.0_pREAL,0.0_pREAL, &
0.0_pREAL,1.0_pREAL,0.0_pREAL, &
0.0_pREAL,0.0_pREAL,1.0_pREAL &
],shape(math_I3)) !< 3x3 Identity
math_I3 = real(reshape([&
1, 0, 0, &
0, 1, 0, &
0, 0, 1 &
],shape(math_I3)),pREAL) !< 3x3 Identity
real(pREAL), dimension(*), parameter, private :: &
NRMMANDEL = [1.0_pREAL, 1.0_pREAL,1.0_pREAL, sqrt(2.0_pREAL), sqrt(2.0_pREAL), sqrt(2.0_pREAL)] !< forward weighting for Mandel notation
@ -83,9 +85,6 @@ module math
3,3 &
],shape(MAPPLAIN)) !< arrangement in Plain notation
!---------------------------------------------------------------------------------------------------
private :: &
selfTest
contains
@ -109,20 +108,21 @@ subroutine math_init()
allocate(seed(randSize))
if (num_generic%contains('random_seed')) then
seed = num_generic%get_as1dInt('random_seed',requiredSize=randSize)
seed = num_generic%get_as1dInt('random_seed',requiredSize=randSize) &
+ worldrank*42_MPI_INTEGER_KIND
else
call random_seed()
call random_seed(get = seed)
end if
call random_seed(put = seed + worldrank*42_MPI_INTEGER_KIND)
call random_seed(put = seed)
call random_number(randTest)
print'(/,a,i2)', ' size of random seed: ', randSize
print*, 'value of random seed: ', seed
print'( a,4(/,26x,f17.14))', ' start of random sequence: ', randTest
call selfTest()
call math_selfTest()
end subroutine math_init
@ -1275,7 +1275,7 @@ end function math_clip
!--------------------------------------------------------------------------------------------------
!> @brief Check correctness of some math functions.
!--------------------------------------------------------------------------------------------------
subroutine selfTest()
subroutine math_selfTest()
integer, dimension(2,4) :: &
sort_in_ = reshape([+1,+5, +5,+6, -1,-1, +3,-2],[2,4])
@ -1447,6 +1447,6 @@ subroutine selfTest()
error stop 'math_normal(sigma)'
end block normal_distribution
end subroutine selfTest
end subroutine math_selfTest
end module math

1
src/mesh/FEM_utilities.f90
View File

@ -16,6 +16,7 @@ module FEM_utilities
use prec
use config
use math
use misc
use IO
use discretization_mesh
use homogenization

2
src/mesh/discretization_mesh.f90
View File

@ -56,7 +56,7 @@ module discretization_mesh
real(pREAL), dimension(:,:,:), allocatable :: &
mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!)
#ifdef PETSC_USE_64BIT_INDICES
#if defined(PETSC_USE_64BIT_INDICES) || PETSC_VERSION_MINOR < 17
external :: &
DMDestroy
#endif

2
src/mesh/mesh_mech_FEM.f90
View File

@ -72,7 +72,7 @@ module mesh_mechanical_FEM
real(pREAL), parameter :: eps = 1.0e-18_pREAL
external :: & ! ToDo: write interfaces
#ifdef PETSC_USE_64BIT_INDICES
#if defined(PETSC_USE_64BIT_INDICES) || PETSC_VERSION_MINOR < 17
ISDestroy, &
#endif
PetscSectionGetNumFields, &

1
src/misc.f90
View File

@ -19,6 +19,7 @@ module misc
public :: &
misc_init, &
misc_selfTest, &
misc_optional, &
misc_prefixOptions

35
src/phase_mechanical_plastic_kinehardening.f90
View File

@ -8,10 +8,9 @@
submodule(phase:plastic) kinehardening
type :: tParameters
real(pREAL) :: &
n = 1.0_pREAL, & !< stress exponent for slip
dot_gamma_0 = 1.0_pREAL !< reference shear strain rate for slip
real(pREAL), allocatable, dimension(:) :: &
dot_gamma_0, & !< reference shear strain rate for slip
n, & !< stress exponent for slip
h_0_xi, & !< initial hardening rate of forest stress per slip family
!! θ_0,for
h_0_chi, & !< initial hardening rate of back stress per slip family
@ -77,6 +76,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
ph, o, &
N_fam, &
Nmembers, &
sizeState, sizeDeltaState, sizeDotState, &
startIndex, endIndex
@ -139,6 +139,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(N_sl))
slipActive: if (prm%sum_N_sl > 0) then
N_fam = size(N_sl)
prm%systems_sl = crystal_labels_slip(N_sl,phase_lattice(ph))
prm%P = crystal_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
@ -152,32 +153,32 @@ module function plastic_kinehardening_init() result(myPlasticity)
prm%P_nS_neg = prm%P
end if
prm%dot_gamma_0 = pl%get_asReal('dot_gamma_0')
prm%n = pl%get_asReal('n')
prm%h_sl_sl = crystal_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), &
phase_lattice(ph))
xi_0 = math_expand(pl%get_as1dReal('xi_0', requiredSize=size(N_sl)),N_sl)
prm%xi_inf = math_expand(pl%get_as1dReal('xi_inf', requiredSize=size(N_sl)),N_sl)
prm%chi_inf = math_expand(pl%get_as1dReal('chi_inf', requiredSize=size(N_sl)),N_sl)
prm%h_0_xi = math_expand(pl%get_as1dReal('h_0_xi', requiredSize=size(N_sl)),N_sl)
prm%h_0_chi = math_expand(pl%get_as1dReal('h_0_chi', requiredSize=size(N_sl)),N_sl)
prm%h_inf_xi = math_expand(pl%get_as1dReal('h_inf_xi', requiredSize=size(N_sl)),N_sl)
prm%h_inf_chi = math_expand(pl%get_as1dReal('h_inf_chi', requiredSize=size(N_sl)),N_sl)
xi_0 = math_expand(pl%get_as1dReal('xi_0', requiredSize=N_fam),N_sl)
prm%dot_gamma_0 = math_expand(pl%get_as1dReal('dot_gamma_0', requiredSize=N_fam),N_sl)
prm%n = math_expand(pl%get_as1dReal('n', requiredSize=N_fam),N_sl)
prm%xi_inf = math_expand(pl%get_as1dReal('xi_inf', requiredSize=N_fam),N_sl)
prm%chi_inf = math_expand(pl%get_as1dReal('chi_inf', requiredSize=N_fam),N_sl)
prm%h_0_xi = math_expand(pl%get_as1dReal('h_0_xi', requiredSize=N_fam),N_sl)
prm%h_0_chi = math_expand(pl%get_as1dReal('h_0_chi', requiredSize=N_fam),N_sl)
prm%h_inf_xi = math_expand(pl%get_as1dReal('h_inf_xi', requiredSize=N_fam),N_sl)
prm%h_inf_chi = math_expand(pl%get_as1dReal('h_inf_chi', requiredSize=N_fam),N_sl)
!--------------------------------------------------------------------------------------------------
! sanity checks
if ( prm%dot_gamma_0 <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0'
if ( prm%n <= 0.0_pREAL) extmsg = trim(extmsg)//' n'
if (any(prm%dot_gamma_0 <= 0.0_pREAL)) extmsg = trim(extmsg)//' dot_gamma_0'
if (any(prm%n <= 0.0_pREAL)) extmsg = trim(extmsg)//' n'
if (any(xi_0 <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_0'
if (any(prm%xi_inf <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_inf'
if (any(prm%chi_inf <= 0.0_pREAL)) extmsg = trim(extmsg)//' chi_inf'
else slipActive
xi_0 = emptyRealArray
allocate(prm%xi_inf, &
allocate(prm%dot_gamma_0, &
prm%n, &
prm%xi_inf, &
prm%chi_inf, &
prm%h_0_xi, &
prm%h_0_chi, &

131
src/phase_mechanical_plastic_phenopowerlaw.f90
View File

@ -7,23 +7,21 @@
submodule(phase:plastic) phenopowerlaw
type :: tParameters
real(pREAL) :: &
dot_gamma_0_sl = 1.0_pREAL, & !< reference shear strain rate for slip
dot_gamma_0_tw = 1.0_pREAL, & !< reference shear strain rate for twin
n_sl = 1.0_pREAL, & !< stress exponent for slip
n_tw = 1.0_pREAL, & !< stress exponent for twin
f_sat_sl_tw = 1.0_pREAL, & !< push-up factor for slip saturation due to twinning
c_1 = 1.0_pREAL, &
c_2 = 1.0_pREAL, &
c_3 = 1.0_pREAL, &
c_4 = 1.0_pREAL, &
h_0_sl_sl = 1.0_pREAL, & !< reference hardening slip - slip
h_0_tw_sl = 1.0_pREAL, & !< reference hardening twin - slip
h_0_tw_tw = 1.0_pREAL, & !< reference hardening twin - twin
a_sl = 1.0_pREAL
real(pREAL), allocatable, dimension(:) :: &
dot_gamma_0_sl, & !< reference shear strain rate for slip
dot_gamma_0_tw, & !< reference shear strain rate for twin
a_sl, &
n_sl, & !< stress exponent for slip
n_tw, & !< stress exponent for twin
xi_inf_sl, & !< maximum critical shear stress for slip
h_int, & !< per family hardening activity (optional)
f_sat_sl_tw, & !< push-up factor for slip saturation due to twinning
c_1, &
c_2, &
c_3, &
c_4, &
h_0_sl_sl, & !< reference hardening slip - slip
h_0_tw_sl, & !< reference hardening twin - slip
h_0_tw_tw, & !< reference hardening twin - twin
gamma_char !< characteristic shear for twins
real(pREAL), allocatable, dimension(:,:) :: &
h_sl_sl, & !< slip resistance from slip activity
@ -40,7 +38,7 @@ submodule(phase:plastic) phenopowerlaw
sum_N_tw !< total number of active twin systems
logical :: &
nonSchmidActive = .false.
character(len=pSTRLEN), allocatable, dimension(:) :: &
character(len=pSTRLEN), allocatable, dimension(:) :: &
output
character(len=:), allocatable, dimension(:) :: &
systems_sl, &
@ -81,6 +79,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
ph, i, &
N_fam, &
Nmembers, &
sizeState, sizeDotState, &
startIndex, endIndex
@ -90,7 +89,8 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
real(pREAL), dimension(:), allocatable :: &
xi_0_sl, & !< initial critical shear stress for slip
xi_0_tw, & !< initial critical shear stress for twin
a !< non-Schmid coefficients
a, & !< non-Schmid coefficients
ones
character(len=:), allocatable :: &
refs, &
extmsg
@ -134,20 +134,26 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
prm%output = pl%get_as1dStr('output',defaultVal=emptyStrArray)
#endif
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
N_tw = pl%get_as1dInt('N_tw',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(N_sl))
prm%sum_N_tw = sum(abs(N_tw))
!--------------------------------------------------------------------------------------------------
! slip related parameters
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(N_sl))
slipActive: if (prm%sum_N_sl > 0) then
prm%dot_gamma_0_sl = pl%get_asReal('dot_gamma_0_sl')
prm%n_sl = pl%get_asReal('n_sl')
prm%a_sl = pl%get_asReal('a_sl')
prm%h_0_sl_sl = pl%get_asReal('h_0_sl-sl')
xi_0_sl = math_expand(pl%get_as1dReal('xi_0_sl', requiredSize=size(N_sl)),N_sl)
prm%xi_inf_sl = math_expand(pl%get_as1dReal('xi_inf_sl', requiredSize=size(N_sl)),N_sl)
prm%h_int = math_expand(pl%get_as1dReal('h_int', requiredSize=size(N_sl), &
defaultVal=[(0.0_pREAL,i=1,size(N_sl))]),N_sl)
N_fam = size(N_sl)
ones = [(1.0_pREAL,i=1,N_fam)]
prm%dot_gamma_0_sl = math_expand(pl%get_as1dReal('dot_gamma_0_sl',requiredSize=N_fam,defaultVal= ones), N_sl)
prm%n_sl = math_expand(pl%get_as1dReal('n_sl', requiredSize=N_fam,defaultVal= ones), N_sl)
prm%a_sl = math_expand(pl%get_as1dReal('a_sl', requiredSize=N_fam,defaultVal= ones), N_sl)
prm%h_0_sl_sl = math_expand(pl%get_as1dReal('h_0_sl-sl', requiredSize=N_fam,defaultVal=0.0_pREAL*ones), N_sl)
prm%c_1 = math_expand(pl%get_as1dReal('c_1', requiredSize=N_fam,defaultVal=0.0_pREAL*ones), N_sl)
prm%c_2 = math_expand(pl%get_as1dReal('c_2', requiredSize=N_fam,defaultVal= ones), N_sl)
xi_0_sl = math_expand(pl%get_as1dReal('xi_0_sl', requiredSize=N_fam), N_sl)
prm%xi_inf_sl = math_expand(pl%get_as1dReal('xi_inf_sl', requiredSize=N_fam), N_sl)
prm%f_sat_sl_tw = math_expand(pl%get_as1dReal('f_sat_sl-tw',requiredSize=N_fam,defaultVal=0.0_pREAL*ones), N_sl)
prm%h_sl_sl = crystal_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'),phase_lattice(ph))
@ -166,35 +172,37 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
prm%systems_sl = crystal_labels_slip(N_sl,phase_lattice(ph))
! sanity checks
if ( prm%dot_gamma_0_sl <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0_sl'
if ( prm%a_sl <= 0.0_pREAL) extmsg = trim(extmsg)//' a_sl'
if ( prm%n_sl <= 0.0_pREAL) extmsg = trim(extmsg)//' n_sl'
if (any(prm%dot_gamma_0_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' dot_gamma_0_sl'
if (any(prm%n_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' n_sl'
if (any(prm%a_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' a_sl'
if (any(xi_0_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_0_sl'
if (any(prm%xi_inf_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_inf_sl'
else slipActive
xi_0_sl = emptyRealArray
allocate(prm%xi_inf_sl, &
prm%h_int, &
allocate(prm%dot_gamma_0_sl, & !< reference shear strain rate for slip
prm%a_sl, &
prm%n_sl, & !< stress exponent for slip
prm%xi_inf_sl, & !< maximum critical shear stress for slip
prm%f_sat_sl_tw, & !< push-up factor for slip saturation due to twinning
prm%c_1, &
prm%c_2, &
prm%h_0_sl_sl, & !< reference hardening slip - slip
source=emptyRealArray)
allocate(prm%h_sl_sl(0,0))
end if slipActive
!--------------------------------------------------------------------------------------------------
! twin related parameters
N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(abs(N_tw))
twinActive: if (prm%sum_N_tw > 0) then
prm%c_1 = pl%get_asReal('c_1',defaultVal=0.0_pREAL)
prm%c_2 = pl%get_asReal('c_2',defaultVal=1.0_pREAL)
prm%c_3 = pl%get_asReal('c_3',defaultVal=0.0_pREAL)
prm%c_4 = pl%get_asReal('c_4',defaultVal=0.0_pREAL)
prm%dot_gamma_0_tw = pl%get_asReal('dot_gamma_0_tw')
prm%n_tw = pl%get_asReal('n_tw')
prm%f_sat_sl_tw = pl%get_asReal('f_sat_sl-tw')
prm%h_0_tw_tw = pl%get_asReal('h_0_tw-tw')
xi_0_tw = math_expand(pl%get_as1dReal('xi_0_tw',requiredSize=size(N_tw)),N_tw)
N_fam = size(N_tw)
ones = [(1.0_pREAL,i=1,N_fam)]
prm%dot_gamma_0_tw = math_expand(pl%get_as1dReal('dot_gamma_0_tw', requiredSize=N_fam,defaultVal=ones), N_tw)
prm%n_tw = math_expand(pl%get_as1dReal('n_tw', requiredSize=N_fam,defaultVal= ones), N_tw)
prm%c_3 = math_expand(pl%get_as1dReal('c_3', requiredSize=N_fam,defaultVal=0.0_pREAL*ones), N_tw)
prm%c_4 = math_expand(pl%get_as1dReal('c_4', requiredSize=N_fam,defaultVal=0.0_pREAL*ones), N_tw)
prm%h_0_tw_tw = math_expand(pl%get_as1dReal('h_0_tw-tw', requiredSize=N_fam,defaultVal=0.0_pReal*ones), N_tw)
xi_0_tw = math_expand(pl%get_as1dReal('xi_0_tw', requiredSize=N_fam), N_tw)
prm%gamma_char = crystal_characteristicShear_twin(N_tw,phase_lattice(ph),phase_cOverA(ph))
prm%h_tw_tw = crystal_interaction_TwinByTwin(N_tw,pl%get_as1dReal('h_tw-tw'),phase_lattice(ph))
@ -203,27 +211,33 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
prm%systems_tw = crystal_labels_twin(N_tw,phase_lattice(ph))
! sanity checks
if (prm%dot_gamma_0_tw <= 0.0_pREAL) extmsg = trim(extmsg)//' dot_gamma_0_tw'
if (prm%n_tw <= 0.0_pREAL) extmsg = trim(extmsg)//' n_tw'
if (any(prm%dot_gamma_0_tw <= 0.0_pREAL)) extmsg = trim(extmsg)//' dot_gamma_0_tw'
if (any(prm%n_tw <= 0.0_pREAL)) extmsg = trim(extmsg)//' n_tw'
if (any(xi_0_tw <= 0.0_pREAL)) extmsg = trim(extmsg)//' xi_0_tw'
else twinActive
xi_0_tw = emptyRealArray
allocate(prm%gamma_char,source=emptyRealArray)
allocate(prm%dot_gamma_0_tw, & !< reference shear strain rate for twin
prm%n_tw, & !< stress exponent for twin
prm%c_3, &
prm%c_4, &
prm%gamma_char, & !< characteristic shear for twins
prm%h_0_tw_sl, & !< reference hardening twin - slip
prm%h_0_tw_tw, & !< reference hardening twin - twin
source=emptyRealArray)
allocate(prm%h_tw_tw(0,0))
end if twinActive
!--------------------------------------------------------------------------------------------------
! slip-twin related parameters
slipAndTwinActive: if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
prm%h_0_tw_sl = pl%get_asReal('h_0_tw-sl')
prm%h_sl_tw = crystal_interaction_SlipByTwin(N_sl,N_tw,pl%get_as1dReal('h_sl-tw'), &
phase_lattice(ph))
prm%h_tw_sl = crystal_interaction_TwinBySlip(N_tw,N_sl,pl%get_as1dReal('h_tw-sl'), &
phase_lattice(ph))
prm%h_0_tw_sl = math_expand(pl%get_as1dReal('h_0_tw-sl',requiredSize=N_fam,defaultVal=0.0_pReal*ones), N_tw)
prm%h_sl_tw = crystal_interaction_SlipByTwin(N_sl,N_tw,pl%get_as1dReal('h_sl-tw'),phase_lattice(ph))
prm%h_tw_sl = crystal_interaction_TwinBySlip(N_tw,N_sl,pl%get_as1dReal('h_tw-sl'),phase_lattice(ph))
else slipAndTwinActive
allocate(prm%h_sl_tw(prm%sum_N_sl,prm%sum_N_tw)) ! at least one dimension is 0
allocate(prm%h_tw_sl(prm%sum_N_tw,prm%sum_N_sl)) ! at least one dimension is 0
prm%h_0_tw_sl = 0.0_pREAL
prm%h_0_tw_sl = [(0.0_pREAL,i=1,size(N_tw))]
end if slipAndTwinActive
!--------------------------------------------------------------------------------------------------
@ -242,7 +256,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
endIndex = prm%sum_N_sl
idx_dot%xi_sl = [startIndex,endIndex]
stt%xi_sl => plasticState(ph)%state(startIndex:endIndex,:)
stt%xi_sl = spread(xi_0_sl, 2, Nmembers)
stt%xi_sl = spread(xi_0_sl, 2, Nmembers)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pREAL)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_xi'
@ -250,7 +264,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
endIndex = endIndex + prm%sum_N_tw
idx_dot%xi_tw = [startIndex,endIndex]
stt%xi_tw => plasticState(ph)%state(startIndex:endIndex,:)
stt%xi_tw = spread(xi_0_tw, 2, Nmembers)
stt%xi_tw = spread(xi_0_tw, 2, Nmembers)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_xi',defaultVal=1.0_pREAL)
startIndex = endIndex + 1
@ -344,10 +358,10 @@ module function phenopowerlaw_dotState(Mp,ph,en) result(dotState)
dotState
real(pREAL) :: &
xi_sl_sat_offset,&
sumF
real(pREAL), dimension(param(ph)%sum_N_sl) :: &
dot_gamma_sl_pos,dot_gamma_sl_neg, &
xi_sl_sat_offset, &
left_SlipSlip
associate(prm => param(ph), stt => state(ph), &
@ -362,10 +376,11 @@ module function phenopowerlaw_dotState(Mp,ph,en) result(dotState)
sumF = sum(stt%gamma_tw(:,en)/prm%gamma_char)
xi_sl_sat_offset = prm%f_sat_sl_tw*sqrt(sumF)
left_SlipSlip = sign(abs(1.0_pREAL-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))**prm%a_sl, &
1.0_pREAL-stt%xi_sl(:,en) / (prm%xi_inf_sl+xi_sl_sat_offset))
dot_xi_sl = prm%h_0_sl_sl * (1.0_pREAL + prm%c_1 * sumF**prm%c_2) * (1.0_pREAL + prm%h_int) &
dot_xi_sl = prm%h_0_sl_sl * (1.0_pREAL + prm%c_1 * sumF**prm%c_2) &
* left_SlipSlip * matmul(prm%h_sl_sl,dot_gamma_sl) &
+ matmul(prm%h_sl_tw,dot_gamma_tw)

9
src/rotations.f90
View File

@ -92,6 +92,7 @@ module rotations
public :: &
rotations_init, &
rotations_selfTest, &
eu2om
contains
@ -99,14 +100,14 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief Do self test.
!--------------------------------------------------------------------------------------------------
subroutine rotations_init
subroutine rotations_init()
print'(/,1x,a)', '<<<+- rotations init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', 'D. Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015'
print'( 1x,a)', 'https://doi.org/10.1088/0965-0393/23/8/083501'
call selfTest()
call rotations_selfTest()
end subroutine rotations_init
@ -757,7 +758,7 @@ end function conjugateQuaternion
!--------------------------------------------------------------------------------------------------
!> @brief Check correctness of some rotations functions.
!--------------------------------------------------------------------------------------------------
subroutine selfTest()
subroutine rotations_selfTest()
type(tRotation) :: R
real(pREAL), dimension(4) :: qu
@ -841,7 +842,7 @@ subroutine selfTest()
end function quaternion_equal
end subroutine selfTest
end subroutine rotations_selfTest
end module rotations

9
src/tables.f90
View File

@ -25,7 +25,8 @@ module tables
public :: &
table, &
tables_init
tables_init, &
tables_selfTest
contains
@ -37,7 +38,7 @@ subroutine tables_init()
print'(/,1x,a)', '<<<+- tables init -+>>>'; flush(IO_STDOUT)
call selfTest()
call tables_selfTest()
end subroutine tables_init
@ -106,7 +107,7 @@ end function eval
!--------------------------------------------------------------------------------------------------
!> @brief Check correctness of table functionality.
!--------------------------------------------------------------------------------------------------
subroutine selfTest()
subroutine tables_selfTest()
type(tTable) :: t
real(pREAL), dimension(*), parameter :: &
@ -140,6 +141,6 @@ subroutine selfTest()
if (dNeq(y_true(i),t%at(x_eval(i)))) error stop 'table eval/dict'
end do
end subroutine selfTest
end subroutine tables_selfTest
end module tables

50
src/test/DAMASK_test.f90
View File

@ -1,15 +1,61 @@
program DAMASK_test
use parallelization
use HDF5_utilities
use IO
use test_prec
use test_misc
use test_math
use test_tables
use test_crystal
use test_rotations
use test_IO
use test_HDF5_utilities
call prec_test()
external :: quit
character(len=*), parameter :: &
ok = achar(27)//'[32mok'//achar(27)//'[0m', &
fmt = '(3x,a,T19,a,1x)'
call parallelization_init()
call HDF5_utilities_init()
call HDF5_utilities_test()
write(IO_STDOUT,fmt='(/,1x,a,/)') achar(27)//'[1m'//'testing'//achar(27)//'[0m'
write(IO_STDOUT,fmt=fmt, advance='no') 'prec','...'
call test_prec_run()
write(IO_STDOUT,fmt='(a)') ok
write(IO_STDOUT,fmt=fmt, advance='no') 'misc','...'
call test_misc_run()
write(IO_STDOUT,fmt='(a)') ok
write(IO_STDOUT,fmt=fmt, advance='no') 'math','...'
call test_math_run()
write(IO_STDOUT,fmt='(a)') ok
write(IO_STDOUT,fmt=fmt, advance='no') 'tables','...'
call test_tables_run()
write(IO_STDOUT,fmt='(a)') ok
write(IO_STDOUT,fmt=fmt, advance='no') 'crystal','...'
call test_crystal_run()
write(IO_STDOUT,fmt='(a)') ok
write(IO_STDOUT,fmt=fmt, advance='no') 'rotations','...'
call test_rotations_run()
write(IO_STDOUT,fmt='(a)') ok
write(IO_STDOUT,fmt=fmt, advance='no') 'IO','...'
call test_IO_run()
write(IO_STDOUT,fmt='(a)') ok
write(IO_STDOUT,fmt=fmt, advance='no') 'HDF5_utilities','...'
call test_HDF5_utilities_run()
write(IO_STDOUT,fmt='(a)') ok
call quit(0)
end program DAMASK_test

14
src/test/test_HDF5_utilities.f90
View File

@ -6,20 +6,18 @@ module test_HDF5_utilities
implicit none(type,external)
private
public :: HDF5_utilities_test
public :: test_HDF5_utilities_run
contains
subroutine HDF5_utilities_test()
subroutine test_HDF5_utilities_run()
print*, 'begin test HDF5_utilities'
call test_read_write()
print*, 'end test HDF5_utilities'
call read_write()
end subroutine HDF5_utilities_test
end subroutine test_HDF5_utilities_run
subroutine test_read_write()
subroutine read_write()
integer(HID_T) :: f
real(pREAL), dimension(3) :: d_in,d_out
@ -34,6 +32,6 @@ subroutine test_read_write()
if (any(d_in /= d_out)) error stop 'test_read_write'
end subroutine test_read_write
end subroutine read_write
end module test_HDF5_utilities

17
src/test/test_IO.f90 Normal file
View File

@ -0,0 +1,17 @@
module test_IO
use IO
implicit none(type,external)
private
public :: test_IO_run
contains
subroutine test_IO_run()
call IO_selfTest()
end subroutine test_IO_run
end module test_IO

17
src/test/test_crystal.f90 Normal file
View File

@ -0,0 +1,17 @@
module test_crystal
use crystal
implicit none(type,external)
private
public :: test_crystal_run
contains
subroutine test_crystal_run()
call crystal_selfTest()
end subroutine test_crystal_run
end module test_crystal

17
src/test/test_math.f90 Normal file
View File

@ -0,0 +1,17 @@
module test_math
use math
implicit none(type,external)
private
public :: test_math_run
contains
subroutine test_math_run()
call math_selfTest()
end subroutine test_math_run
end module test_math

17
src/test/test_misc.f90 Normal file
View File

@ -0,0 +1,17 @@
module test_misc
use misc
implicit none(type,external)
private
public :: test_misc_run
contains
subroutine test_misc_run()
call misc_selfTest()
end subroutine test_misc_run
end module test_misc

8
src/test/test_prec.f90
View File

@ -4,16 +4,14 @@ module test_prec
implicit none(type,external)
private
public :: prec_test
public :: test_prec_run
contains
subroutine prec_test()
subroutine test_prec_run()
print*, 'begin test prec'
call prec_selfTest()
print*, 'end test prec'
end subroutine prec_test
end subroutine test_prec_run
end module test_prec

17
src/test/test_rotations.f90 Normal file
View File

@ -0,0 +1,17 @@
module test_rotations
use rotations
implicit none(type,external)
private
public :: test_rotations_run
contains
subroutine test_rotations_run()
call rotations_selfTest()
end subroutine test_rotations_run
end module test_rotations

17
src/test/test_tables.f90 Normal file
View File

@ -0,0 +1,17 @@
module test_tables
use tables
implicit none(type,external)
private
public :: test_tables_run
contains
subroutine test_tables_run()
call tables_selfTest()
end subroutine test_tables_run
end module test_tables