b9ee401ff5
add damage restart functionality and associated tests
2022-12-05 10:52:59 +00:00
7c6c46c2db
return value of fftw function is defined as cdouble
2022-12-05 10:39:42 +01:00
c2e78158c8
petsc macros can be omitted with use of preal
2022-12-05 10:38:36 +01:00
f61273c062
standard style
2022-12-02 20:41:47 +01:00
411c86b5ef
following style guide
2022-12-01 19:52:53 +01:00
8493170419
testing equivalence of different code branches for imposed cubic
...
symmetry
2022-12-01 19:17:11 +01:00
a2f898a94c
correcting function return type, indentation
2022-12-01 17:27:30 +01:00
b96576ce93
standardizing double definition across modules
2022-12-01 17:27:30 +01:00
8fd4a0c084
petscscalar and pReal need to be equivalent
2022-12-01 17:26:25 +01:00
07bbbdb380
avoid fixed length character arrays
2022-11-30 13:33:04 +01:00
71fe8edd4c
Merge remote-tracking branch 'origin/development' into select-mu
2022-11-30 11:11:34 +01:00
3a3be7cdc8
have isostrain/stress replace voigt/reuss
2022-11-30 11:09:51 +01:00
d364808c82
extending test to MPI parallel runs
2022-11-29 18:12:38 +01:00
599e4472e8
Merge remote-tracking branch 'origin/development' into select-mu
2022-11-29 12:12:02 +01:00
8b5fa37428
calculation of shear modulus for cubic crystals can be simplifieid, tests added for different crystal symmetries
2022-11-28 23:28:36 +01:00
0508fa9ec2
flatten solver data layout
...
avoid problem with chunking/compression (only relevant for large
simulations when this feature is used).
In addition, use a unified variable naming: no "_current" for
thermal and damage to follow example of mech.
2022-11-27 17:07:25 +01:00
39157b75b7
plane waves have known solutions
2022-11-27 16:53:53 +01:00
6be1d43dc6
gradient/curl/div of constant fields are zero
2022-11-26 10:37:54 +01:00
8993b5caac
Merge branch '232-residualstiffness-residualphi' into 'development'
...
better naming
Closes #232
See merge request damask/DAMASK!666
2022-11-25 15:12:54 +00:00
36f050a085
Merge branch 'polish-YAML-parsing' into 'development'
...
Shorter YAML code
See merge request damask/DAMASK!663
2022-11-25 07:55:31 +00:00
af24d47b9a
Shorter YAML code
2022-11-25 07:55:31 +00:00
99673bb865
Merge branch '162-error-stress-bc-grid' into 'development'
...
avoid confusion during reporting
Closes #162
See merge request damask/DAMASK!662
2022-11-24 12:50:39 +00:00
9d71ffa3ee
better naming
2022-11-24 11:23:10 +01:00
deb8ebeb5b
avoid confusion during reporting
...
polarization needs to ensure BC for F and P
2022-11-24 09:47:48 +01:00
19fbfb0968
Merge branch '230-polynomial-get' into 'development'
...
removed superfluous asDict specification for polynomials arguments
Closes #230
See merge request damask/DAMASK!665
2022-11-24 06:58:17 +00:00
6a701db211
support Marc 2022.3
2022-11-23 17:20:35 +01:00
b2fcd1ec1b
Merge branch 'grid-spectral-simplifications' into 'development'
...
FFTW-related changes
Closes #206 and #216
See merge request damask/DAMASK!661
2022-11-22 18:24:03 +00:00
3fb0b5d099
removed superfluous asDict specification for polynomials arguments
2022-11-22 14:20:19 +01:00
762a5de6c9
Merge branch '205-name-for-coefficient-of-thermal-expansion' into 'development'
...
commonly used variable name
Closes #205
See merge request damask/DAMASK!660
2022-11-20 23:56:59 +00:00
cad4cbc5d2
circument bug in gfortran
...
associate to strided pointer seems to cause trouble
2022-11-20 23:35:54 +01:00
2173c9e499
undo weighting needed for restart
2022-11-20 13:36:03 +01:00
34fb7e921a
use self-documenting code
...
the comments did not anything that was not clear from the
variable/function names
2022-11-20 12:58:50 +01:00
ef435ee7d1
commonly used variable name
2022-11-20 09:40:15 +01:00
9b80ff623b
faster operation
...
explicit weighting not needed
2022-11-19 13:39:43 +01:00
eb226d237f
better readable
2022-11-19 13:27:32 +01:00
6db3b72c89
avoid global variables
...
extra memory (one vector field) required
2022-11-19 13:05:12 +01:00
f22ff8fa25
avoid state-changing functions
...
requires explicit padding, i.e. a little bit of code duplication
2022-11-19 12:36:56 +01:00
ad3c18b29b
avoid use of global variables
2022-11-19 12:24:16 +01:00
7de3da50e7
include weighting operation into Gamma operator
...
avoids point-wise multiplication.
2022-11-19 12:05:31 +01:00
cb6df618fe
avoid global variables
2022-11-19 11:47:44 +01:00
18b8923929
centralize FFTs
2022-11-19 09:37:26 +01:00
cd2a21509a
avoid depenencies on global state
...
requires on extra forward FFT pre iteration for basic scheme
2022-11-19 09:01:57 +01:00
20da5663c0
simplified, avoid intermediate writes
2022-11-19 08:14:38 +01:00
ce98cfdd5e
padding is handled centrally in the FFT forward routines
2022-11-19 07:58:45 +01:00
bdd85a414c
support for MSC.Marc 2022.2
2022-11-17 07:12:27 +00:00
1264d8dfc1
allow selection of modulus
2022-11-11 19:36:55 +01:00
46e2bbf80c
correct unit for quaternion output O
2022-11-08 13:10:37 -05:00
0ab9adcb5e
fix Kichhoff typos
2022-11-02 20:23:56 +00:00
a1b91e5fcf
Merge branch '202_MPI-random-seed' into 'development'
...
avoid repeated random sequences on different processes
Closes #202
See merge request damask/DAMASK!639
2022-10-31 11:29:50 +00:00
c507e2d3b6
avoid potenttial out-of-bounds memory access
2022-10-27 15:56:59 -04:00
5c688345ed
more verbose and specific messaging in self-test and errors
2022-10-27 15:39:48 -04:00
ae3b049d30
avoid repeated random sequences on different processes
...
we don't use random numbers a lot and there are no reported problems
yet.
Still, this is safer.
2022-10-27 09:21:37 +02:00
9149e760f6
Merge branch 'dislotwin-parameters' into 'development'
...
example files for TWIP/TRIP
See merge request damask/DAMASK!636
2022-10-26 06:59:59 +00:00
28ea09050d
polishing
2022-10-25 23:18:22 +02:00
df5487e1a9
Re-written YAML types
...
Strict typing for YAML
New access pattern requires to specify the expected type, i.e. 'scalar', 'list', or 'dict'. This ensures that the node offers the expected functionality instead of polluting 'tNode' with dummy functions which throw error messages if not overwritten.
The restructuring of the code allows to hierarchically construct methods without much code duplication.
Some aspects of the error messaging system have been improved.
2022-10-25 16:09:36 +00:00
7831aa5ce8
Merge remote-tracking branch 'origin/development' into dislotwin-parameters
2022-10-23 12:31:30 +02:00
bf0113a737
avoid HDF5 error in case of empty dataset
2022-10-20 01:09:03 +02:00
027d77e9f7
Merge branch 'long-PETSc-lines' into 'development'
...
length of macro seems to depend on PETSc location
See merge request damask/DAMASK!632
2022-10-19 10:32:15 +00:00
d315aac163
use sourced allocation
2022-10-15 21:54:03 +02:00
592936f21f
missing allocation statement was causing gnu and intel debug compiler to fail
2022-10-14 11:44:42 +02:00
8937967067
length of macro seems to depend on PETSc location
2022-10-13 13:08:13 +02:00
2e24ce4770
Merge branch 'phenopowerlaw_fix_clean' into 'development'
...
asymptotic hardening respects own (not other) saturation
See merge request damask/DAMASK!631
2022-10-13 07:54:47 +00:00
759c95471c
asymptotic hardening respects own (not other) saturation
...
from @p.eisenlohr
2022-10-07 19:00:09 +02:00
0ca4d42678
PETSc 3.18.0 compatibility
...
CHKERR macros are now longer, should be replaced with PetscCall in the
future
2022-10-02 12:48:54 +02:00
dd3b385ae5
correct dotT passed
2022-09-29 15:04:57 +02:00
0c83245d4b
example files for TWIP/TRIP
...
I'm not able to reproduce the results from https://doi.org/10.1016/j.actamat.2016.07.032 ,
but these parameters give results that are qualitatively ok
2022-09-22 16:39:23 +02:00
bb65d58214
add read-in init phi, correct write-out damage result
2022-09-21 08:50:00 +02:00
784cd3405e
clean termination in case of MPI runs (no deadlock)
2022-09-10 23:53:59 +02:00
1add486115
don't rely on PETSc for MPI init
2022-09-10 23:37:39 +02:00
b11ca71786
no need to pass determinant if not needed
2022-09-10 10:31:18 +02:00
043415c4bb
unused and untested
2022-08-31 09:06:11 +00:00
8c097b08d5
missing declaration
2022-08-29 16:08:24 +02:00
0b9597e74e
better error message/simpler code
2022-08-16 18:26:50 +02:00
fbc6a1ebbf
following naming convention
...
the variable is NOT related to the base64 module
2022-08-16 17:10:49 +02:00
237bda5ccf
ensuring matching domain decomposition for all transforms
2022-07-29 07:29:20 +02:00
aee8ecd43d
Merge remote-tracking branch 'origin/development' into prepare-transposed-FFTW
2022-07-29 07:27:12 +02:00
27a8610d92
loops over tensors in fourier space need to correspond to transposed structure
2022-07-22 14:58:30 +02:00
b1257d6b54
correcting wrong access to scalarfield_fourier
2022-07-19 14:47:05 +02:00
dda157aa5a
accesses to fourier space tensors now need to correspond to transposed structure
2022-07-13 14:10:13 +02:00
bb63048a0f
Merge branch 'implicit-none-external' into 'development'
...
implicit none cover external
See merge request damask/DAMASK!610
2022-07-08 11:43:19 +00:00
ec0c486a2c
transition to transposed storage
2022-07-06 18:01:39 +02:00
c3ba8b6588
dot state is 0 in isibrittle
2022-07-02 18:59:21 +02:00
771ccb4485
testing average behavior
2022-07-01 14:33:10 +02:00
fc76f9f60f
preparing for use of transposed data in Fourier space
2022-06-30 22:23:27 +02:00
44ecedc7b0
unified names
2022-06-30 22:01:35 +02:00
af2eb3e51d
systematic names
2022-06-30 21:59:21 +02:00
ef8f0becd4
only used within module
2022-06-30 21:45:49 +02:00
64fad03b97
explicit casting
2022-06-27 23:39:54 +02:00
60e097a04e
something is wrong with interfaces for 64 bit
2022-06-27 22:35:29 +02:00
de1633f420
limit access
2022-06-27 21:51:44 +02:00
61dc14e0b9
Merge remote-tracking branch 'origin/development' into implicit-none-external
2022-06-27 15:13:20 +02:00
de89d0fe38
Merge branch 'Marc-Precision-handling' into 'development'
...
Marc precision handling
See merge request damask/DAMASK!607
2022-06-27 08:37:41 +00:00
3b57934d6e
Marc precision handling
2022-06-27 08:37:41 +00:00
445a091fec
easier to understand
2022-06-24 07:36:25 +02:00
2f1904efec
only MPI_f08 is standard conforming
2022-06-21 23:11:22 +02:00
b8c3d75700
[skip sc] enforce interfaces (quick fix: declare as external)
2022-06-21 22:59:01 +02:00
074cdf5dff
following default style
2022-06-15 20:15:35 +02:00
0b8473d7ec
Merge remote-tracking branch 'origin/development' into polishing
2022-06-15 20:13:39 +02:00
703798b080
test needs update after change of parameter names for sb
2022-06-15 08:31:25 +02:00
576c79a619
following DAMASK paper
2022-06-13 14:08:45 +02:00
0d63284c01
increase test coverage
2022-06-12 16:16:25 +02:00
f60c950a7c
numerically better normalization
...
slightly more expensive, but guarantees a det(R) = 1.0
2022-06-12 10:25:14 +02:00
9f4e354b12
polishing
2022-06-11 23:12:30 +02:00
9e0a0ee166
not needed
2022-06-11 23:04:21 +02:00
f8833043b3
consistent capitalization
2022-06-08 23:28:41 +02:00
78838c2f75
consistent variants including space
2022-06-08 23:27:09 +02:00
fa974574af
Merge branch 'consistent-damage-parameter-names' into 'development'
...
Consistent damage parameter names
See merge request damask/DAMASK!593
2022-06-04 11:27:28 +00:00
1b5194288b
polished tests, consistent variable name
2022-06-04 07:26:45 +02:00
5155a3f958
Merge branch 'MPI-FFTW-fix' into 'development'
...
bugfix: prevent segmentation fault
Closes #192
See merge request damask/DAMASK!595
2022-06-02 16:13:24 +00:00
b8530bbcc9
Merge branch 'implicit-none-in-interface' into 'development'
...
implicit none does not propagate
See merge request damask/DAMASK!596
2022-05-31 12:06:03 +00:00
3d10d29254
Merge branch 'warning-error-cleanup' into 'development'
...
more flexible error/warning handling
See merge request damask/DAMASK!594
2022-05-28 16:56:53 +00:00
d858d753e3
implicit none does not propagate
...
each subroutine/function is independent and not part of a scope
2022-05-27 22:38:47 +02:00
6fa87b4038
not needed anymore
2022-05-27 20:58:18 +02:00
2bfcc4d0b8
standardized reporting
2022-05-27 20:53:16 +02:00
b56ded62d9
encapsulate data, prefix only public functions
2022-05-27 18:01:40 +02:00
f85e8a3ff4
more precise warning for fftw_plan_mode
2022-05-27 12:00:53 -04:00
75bd643258
more precise warning for fftw_plan_mode
2022-05-27 11:58:10 -04:00
d66c777d6e
introduced "IO_panel" to write statements to STDERR
2022-05-27 11:47:14 -04:00
dc59beb59c
following advince from FFTW3 manual
...
silences a lot of gfortran warnings about unused variables
2022-05-27 09:54:00 +02:00
064b9c5cc4
bugfix: prevent segmentation fault
...
need to rely on FFTWs calculation for amount of storage needed
2022-05-27 09:53:04 +02:00
6c6b3e64b3
more flexible reporting
2022-05-27 09:38:47 +02:00
cfa2be44e9
internal errors should trigger error stop
2022-05-27 08:48:42 +02:00
f7d23ad151
internal variable, no prefix needed
2022-05-27 08:40:01 +02:00
f31dd8cbe8
unknown error/warning numbers are internal errors
2022-05-27 08:34:52 +02:00
f90523eb07
more flexible reporting
2022-05-27 08:33:50 +02:00
5f0ae4fe7a
user errors are catched earlier
...
internal errors (essentially programming faults) should stop with 'error
stop'
2022-05-27 06:41:55 +02:00
79fad5ca19
IP was only used for an argument that is NOT the IP ID
2022-05-27 06:41:15 +02:00
1d4c476cd4
collect errors for more helpful message
2022-05-27 06:30:25 +02:00
d5db083fec
more convenient to see all invalid parameters
2022-05-27 00:25:25 +02:00
7a23699aa4
not needed
...
error occurs in <phase ... init>
2022-05-27 00:24:40 +02:00
724c4fcf5d
not used
...
ip,el,g is anyways not flexible enough. Remove unused arguments before
developing a more flexible approach
2022-05-27 00:23:51 +02:00
19b78cb647
easier to read
2022-05-26 23:29:06 +02:00
82cad00f81
simplified interface
2022-05-26 19:07:23 +02:00
a514d30060
standardized names
2022-05-26 19:03:29 +02:00
77f586b1d7
Merge remote-tracking branch 'origin/development' into consistent-damage-parameter-names
2022-05-22 23:35:42 +02:00
f42bb5d175
mitigate rounding errors
2022-05-20 06:43:32 +02:00
491e2ec0b2
avoid negative zero when not needed
2022-05-20 06:30:07 +02:00
6b6c2548c5
Merge branch 'development' into initial-V_e
2022-05-19 17:03:09 +02:00
41a732f62d
assumed rank solution gives wrong results #194
2022-05-19 16:38:37 +02:00
556d9d840e
specifying V_e is more natural than F_i
2022-05-19 01:15:17 +02:00
85fa92ee1f
Merge branch 'use-openMP-module' into 'development'
...
using the module is the recommended approach
See merge request damask/DAMASK!582
2022-05-17 12:57:15 +00:00
5f3203cecf
Merge branch 'element-cleanup' into 'development'
...
only relevant for Marc
See merge request damask/DAMASK!583
2022-05-17 12:56:50 +00:00
c0bb576117
Merge remote-tracking branch 'origin/development' into sigint-to-quit
2022-05-13 11:58:18 +02:00
3f85027b9e
better use SIGINT for actions triggered by the user
...
SIGTERM is send by MPI if one process fails, catching it results in
deadlocks
2022-05-13 11:58:03 +02:00
6b17787be1
only relevant for Marc
2022-05-13 10:02:02 +02:00
05d3a92944
using the module is the recommended approach
2022-05-13 08:43:24 +02:00
6f7e8491bc
Merge branch 'Marc2022.1' into 'development'
...
Marc2022.1
See merge request damask/DAMASK!579
2022-05-12 20:38:25 +00:00
0b6ead1a48
avoid console-spam during initialization
2022-05-12 15:36:12 +02:00
53796fce7a
trustworthy reference
2022-05-08 20:10:12 +02:00
b376b10b7a
classic Intel gives FPE
2022-05-08 17:47:20 +02:00
10d8a63cb6
not used
...
and current code is not good (not using Horner scheme)
2022-05-08 17:18:15 +02:00
d713026f7e
fast evaluation for (most common) case of constant
2022-05-08 16:49:30 +02:00
b2052cb3c7
less strict tolerances
...
values can be in the order of 1e5, so 1e-6 precision is not too bad
2022-05-08 16:41:19 +02:00
8f9fbb30e5
use fused multiply-add where possible
...
only possible for Intel compiler
2022-05-08 15:48:13 +02:00
5b8e5591ed
Merge remote-tracking branch 'origin/development' into order4-polynomial
2022-05-08 14:35:48 +02:00
240426402c
using (faster) Horner evaluation
...
https://rosettacode.org/wiki/Horner%27s_rule_for_polynomial_evaluation
2022-05-08 13:32:14 +02:00
72c29f744c
better tests
2022-05-08 12:49:29 +02:00
7d18ed307d
hickup in documentation
2022-05-08 09:30:26 +02:00
2741fbd977
whitespace adjustments
...
- 1 empty line between dummy arguments/return value
- 2 empty lines between variable definition and actual code
2022-05-08 09:27:21 +02:00
ec184cb8fe
need to relax absolute tolerance
...
absolute values for quartic become quite high
2022-05-08 08:30:58 +02:00
9605a5c2de
polynomial expansion up to order 4
2022-05-07 23:04:06 +02:00
71e4fa222c
generic code for variable order
2022-05-07 22:53:31 +02:00
70b9943920
allow to specify only quadratic term in Dict
2022-05-07 22:47:13 +02:00
7cf3bcb9c9
easier to read
2022-05-07 22:01:47 +02:00
7eddfab994
Merge branch 'development' into Marc2022.1
2022-05-06 18:18:55 +02:00
da595d46db
add support for Marc2022.1
2022-05-04 14:56:50 +02:00
6236ad52d1
consistent naming
2022-05-03 13:00:28 +02:00
fc4619189f
unified capitalization
2022-05-03 12:55:27 +02:00
be39865ff7
more systematic naming
2022-05-02 09:52:15 +02:00
e29a732d9f
improved naming
2022-04-29 14:58:12 +02:00
730cda2020
more explicit name
2022-04-29 14:50:27 +02:00
bb83d20fe9
Merge branch 'development' into structure-improvements
2022-04-27 05:55:19 +02:00
dece12a1a6
remove unused CLI module inclusion
2022-04-26 12:19:13 -04:00
7a4097d52b
Marc code belongs to Marc subfolder
2022-04-24 19:03:22 +02:00
d41d03015a
better matching name
2022-04-24 17:38:59 +02:00
26ab0365be
only used by the grid solver
2022-04-24 17:30:37 +02:00
91b71fdff8
systematic naming scheme
2022-04-24 04:45:41 +02:00
b80b406ad5
more specific name
...
'interface' can be an interface to anything, 'CLI' is an established
abbreviation for 'command line interface'
2022-04-23 16:09:31 +02:00
0e65d44bdc
separating functionality
...
signal handling and CLI handling are not really related
2022-04-23 14:46:26 +02:00
690b2e9c21
tolerances were to strict for certain operations
2022-04-22 07:18:53 +02:00
745f5348cd
running new tests
2022-04-22 00:01:54 +02:00
df3f4d9480
testing forward/backward FFT
2022-04-20 07:02:59 +02:00
dff78154a0
Merge branch 'fast-list-append' into 'development'
...
Performance improvements when storing/retrieving data from YAML
Closes #180
See merge request damask/DAMASK!561
2022-04-20 03:31:10 +00:00
4a93dbec11
more descriptive variable names
2022-04-19 13:11:40 -04:00
b796ccb04a
DAMASK requires gfortran >= 9
2022-04-18 13:18:14 +02:00
808ef139ae
avoid code duplication by using assumed rank "(..)"
...
- lack of modern Fortran interface for HDF5 still requires branching to
call the same code
- not sure how to handle the read function (assumed rank and intent(out)
) does not work together
2022-04-18 13:16:45 +02:00
954a336d92
Fortran side does not support tags (i.e. 'type hints')
2022-04-16 16:24:29 +02:00
3cc3229792
string new line which is added by libfyaml
2022-04-16 16:19:33 +02:00
f9c43e9db7
Merge remote-tracking branch 'origin/development' into consistent-damage-parameter-names
2022-04-15 10:32:36 +02:00
dbf5ee84cb
better readable
2022-04-14 21:21:32 +02:00
b56176d670
all YAML related initialization is constant (linear in number of points)
2022-04-14 16:17:17 +02:00
3309360e4b
avoit out of bounds access
2022-04-14 07:20:16 +02:00
563d566a3f
made two loops faster
...
the most annoying one is still slow.
2022-04-14 06:39:19 +02:00
ca0df3389a
avoid long pointer transversal
2022-04-14 00:06:54 +02:00
00671f943b
easier to understand
2022-04-13 23:45:14 +02:00
c806885cb5
include libfyaml headers from non-standard locations
...
the CMake manual promises more than it holds.
Also adding some diagnostics+fixes for zlib, we still assume that it
exists (true on most systems, HDF5 also requires it normally)
see also https://stackoverflow.com/questions/21593
2022-04-13 07:58:31 +02:00
723252ef15
libfyaml backend
...
currently it simply converts the whole file content to flow mode.
The nice thing is: It can convert EVERYTHING to flow mode. libfyaml is
the only library that passes the whole YAML test suite
2022-04-12 23:24:07 +02:00
0376de4a11
not needed
2022-04-04 08:17:06 +02:00
34cc66f1bf
use old interface for previous PETSc versions
2022-04-04 08:14:48 +02:00
8d44c55141
support for PETSc 3.17.0
...
DCHKERRQ has been replaced by PetscCall
2022-04-03 17:56:17 +02:00
Yi Hu