Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development
This commit is contained in:
Franz Roters
commit
d9fbf2ab50
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|
@ -60,18 +60,17 @@ variables:
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|||
IntelCompiler: "$IntelCompiler18_1"
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||||
GNUCompiler: "$GNUCompiler7_3"
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||||
# ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++
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||||
MPICH3_2Intel17_0: "MPI/Intel/17.0/MPICH/3.2"
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||||
MPICH3_2Intel18_1: "MPI/Intel/18.1/MPICH/3.2.1"
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||||
MPICH3_2GNU7_3: "MPI/GNU/7.3/MPICH/3.2.1"
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||||
# ------------ Defaults ----------------------------------------------
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||||
MPICH_GNU: "$MPICH3_2GNU7_3"
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||||
MPICH_Intel: "$MPICH3_2Intel18_1"
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||||
MPICH_GNU: "$MPICH3_2GNU7_3"
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||||
# ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++
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||||
PETSc3_9_1MPICH3_2Intel18_1: "Libraries/PETSc/3.9.1/Intel-18.1-MPICH-3.2.1"
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||||
PETSc3_9_1MPICH3_2GNU7_3: "Libraries/PETSc/3.9.1/GNU-7.3-MPICH-3.2.1"
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||||
PETSc3_10_0MPICH3_2Intel18_1: "Libraries/PETSc/3.10.0/Intel-18.1-MPICH-3.2.1"
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||||
PETSc3_10_0MPICH3_2GNU7_3: "Libraries/PETSc/3.10.0/GNU-7.3-MPICH-3.2.1"
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||||
# ------------ Defaults ----------------------------------------------
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||||
PETSc_MPICH_Intel: "$PETSc3_9_1MPICH3_2Intel18_1"
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||||
PETSc_MPICH_GNU: "$PETSc3_9_1MPICH3_2GNU7_3"
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||||
PETSc_MPICH_Intel: "$PETSc3_10_0MPICH3_2Intel18_1"
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||||
PETSc_MPICH_GNU: "$PETSc3_10_0MPICH3_2GNU7_3"
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||||
# ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
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||||
Abaqus2017: "FEM/Abaqus/2017"
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||||
MSC2017: "FEM/MSC/2017"
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||||
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|||
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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|||
Subproject commit aeae4513b1ffb43b949399c12bae27fc6abb6f29
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||||
Subproject commit 70f135395370b06c424e0dcf163afbd9d8ad24a1
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||||
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@ -1 +1,9 @@
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|||
*.C_ref
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*.mesh
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*.outputConstitutive
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||||
*.outputCrystallite
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*.outputHomogenization
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||||
*.spectralOut
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||||
*.sta
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||||
*.vt*
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||||
postProc
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||||
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|
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|||
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@ -0,0 +1,759 @@
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|||
#-------------------#
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||||
<homogenization>
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#-------------------#
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||||
[SX]
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||||
mech none
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#-------------------#
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<crystallite>
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#-------------------#
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[aLittleSomething]
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(output) f
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(output) p
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#-------------------#
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<phase>
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#-------------------#
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[Aluminum]
|
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elasticity hooke
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plasticity phenopowerlaw
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||||
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||||
lattice_structure fcc
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||||
Nslip 12 # per family
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||||
Ntwin 0 # per family
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||||
|
||||
c11 106.75e9
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||||
c12 60.41e9
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||||
c44 28.34e9
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||||
|
||||
gdot0_slip 0.001
|
||||
n_slip 20
|
||||
tau0_slip 31e6 # per family
|
||||
tausat_slip 63e6 # per family
|
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a_slip 2.25
|
||||
gdot0_twin 0.001
|
||||
n_twin 20
|
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tau0_twin 31e6 # per family
|
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s_pr 0 # push-up factor for slip saturation due to twinning
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twin_b 0
|
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twin_c 0
|
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twin_d 0
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twin_e 0
|
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h0_slipslip 75e6
|
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h0_twinslip 0
|
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h0_twintwin 0
|
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interaction_slipslip 1 1 1.4 1.4 1.4 1.4
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interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
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interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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atol_resistance 1
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#-------------------#
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<microstructure>
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[Grain001]
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crystallite 1
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|
||||
(gauss) phi1 111.621 Phi 19.1089 phi2 228.338 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain013]
|
||||
(gauss) phi1 129.9 Phi 139.011 phi2 238.735 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain014]
|
||||
(gauss) phi1 221.405 Phi 129.743 phi2 99.6471 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain015]
|
||||
(gauss) phi1 241.783 Phi 98.3729 phi2 260.615 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain016]
|
||||
(gauss) phi1 72.5592 Phi 122.403 phi2 165.046 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain017]
|
||||
(gauss) phi1 64.8818 Phi 82.6384 phi2 236.305 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain018]
|
||||
(gauss) phi1 201.096 Phi 65.9312 phi2 330.745 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain019]
|
||||
(gauss) phi1 192.994 Phi 81.9371 phi2 239.326 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain020]
|
||||
(gauss) phi1 125.335 Phi 90.4527 phi2 207.982 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain021]
|
||||
(gauss) phi1 55.8848 Phi 26.4455 phi2 100.921 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain022]
|
||||
(gauss) phi1 40.722 Phi 95.6415 phi2 269.174 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain023]
|
||||
(gauss) phi1 250.487 Phi 69.6035 phi2 201.732 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain024]
|
||||
(gauss) phi1 204.199 Phi 84.983 phi2 20.3469 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain025]
|
||||
(gauss) phi1 12.7416 Phi 128.589 phi2 271.553 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain026]
|
||||
(gauss) phi1 299.704 Phi 85.3961 phi2 217.359 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain027]
|
||||
(gauss) phi1 48.8232 Phi 83.6209 phi2 200.361 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain028]
|
||||
(gauss) phi1 336.395 Phi 97.3059 phi2 187.071 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain029]
|
||||
(gauss) phi1 274.354 Phi 78.2424 phi2 320.308 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain030]
|
||||
(gauss) phi1 320.776 Phi 149.72 phi2 163.862 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain031]
|
||||
(gauss) phi1 179.549 Phi 106.548 phi2 345.498 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain032]
|
||||
(gauss) phi1 163.508 Phi 24.4238 phi2 127.809 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain033]
|
||||
(gauss) phi1 193.405 Phi 157.012 phi2 321.342 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain034]
|
||||
(gauss) phi1 9.09886 Phi 95.9453 phi2 102.32 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain035]
|
||||
(gauss) phi1 353.876 Phi 150.824 phi2 174.886 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain036]
|
||||
(gauss) phi1 138.914 Phi 76.5811 phi2 167.927 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain037]
|
||||
(gauss) phi1 262.655 Phi 76.2738 phi2 12.4459 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain038]
|
||||
(gauss) phi1 121.849 Phi 65.5254 phi2 192.601 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain039]
|
||||
(gauss) phi1 275.824 Phi 81.6788 phi2 164.228 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain040]
|
||||
(gauss) phi1 68.9202 Phi 160.5 phi2 210.862 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain041]
|
||||
(gauss) phi1 51.0398 Phi 82.7291 phi2 74.016 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain042]
|
||||
(gauss) phi1 338.746 Phi 62.7854 phi2 129.362 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain043]
|
||||
(gauss) phi1 204.51 Phi 151.256 phi2 178.89 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain044]
|
||||
(gauss) phi1 122.098 Phi 104.003 phi2 323.04 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain045]
|
||||
(gauss) phi1 106.693 Phi 108.61 phi2 336.935 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain046]
|
||||
(gauss) phi1 118.856 Phi 160.992 phi2 316.152 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain047]
|
||||
(gauss) phi1 177.962 Phi 114.868 phi2 13.6918 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain048]
|
||||
(gauss) phi1 330.273 Phi 174.495 phi2 231.249 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain049]
|
||||
(gauss) phi1 7.31937 Phi 94.7313 phi2 17.8461 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain050]
|
||||
(gauss) phi1 74.3385 Phi 49.9546 phi2 286.482 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain051]
|
||||
(gauss) phi1 326.388 Phi 76.9547 phi2 214.758 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain052]
|
||||
(gauss) phi1 276.024 Phi 72.1242 phi2 275.884 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain053]
|
||||
(gauss) phi1 137.681 Phi 116.99 phi2 6.87047 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain054]
|
||||
(gauss) phi1 200.213 Phi 123.618 phi2 268.84 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain055]
|
||||
(gauss) phi1 7.13702 Phi 56.2015 phi2 119.65 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain056]
|
||||
(gauss) phi1 72.1783 Phi 81.0906 phi2 6.06213 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain057]
|
||||
(gauss) phi1 184.565 Phi 110.01 phi2 239.546 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain058]
|
||||
(gauss) phi1 210.124 Phi 128.631 phi2 8.61611 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain059]
|
||||
(gauss) phi1 290.326 Phi 170.412 phi2 144.269 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain060]
|
||||
(gauss) phi1 204.748 Phi 76.7343 phi2 200.385 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain061]
|
||||
(gauss) phi1 54.3015 Phi 65.9143 phi2 117.373 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain062]
|
||||
(gauss) phi1 261.263 Phi 52.255 phi2 95.9146 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain063]
|
||||
(gauss) phi1 328.054 Phi 51.0778 phi2 24.2782 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain064]
|
||||
(gauss) phi1 163.03 Phi 154.894 phi2 64.126 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain065]
|
||||
(gauss) phi1 183.87 Phi 80.1848 phi2 18.7438 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain066]
|
||||
(gauss) phi1 219.91 Phi 113.727 phi2 126.67 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain067]
|
||||
(gauss) phi1 1.43844 Phi 87.6365 phi2 217.342 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain068]
|
||||
(gauss) phi1 16.6245 Phi 162.07 phi2 43.7899 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain069]
|
||||
(gauss) phi1 16.86 Phi 53.8682 phi2 256.917 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain070]
|
||||
(gauss) phi1 1.01921 Phi 118.449 phi2 307.223 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain071]
|
||||
(gauss) phi1 19.0397 Phi 83.8885 phi2 262.687 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain072]
|
||||
(gauss) phi1 99.799 Phi 77.2307 phi2 84.9727 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain073]
|
||||
(gauss) phi1 234.292 Phi 63.5029 phi2 250.315 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain074]
|
||||
(gauss) phi1 315.529 Phi 106.015 phi2 103.711 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain075]
|
||||
(gauss) phi1 235.595 Phi 110.152 phi2 210.277 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain076]
|
||||
(gauss) phi1 341.907 Phi 17.1839 phi2 332.75 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain077]
|
||||
(gauss) phi1 352.166 Phi 88.6049 phi2 114.964 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain078]
|
||||
(gauss) phi1 342.33 Phi 117.777 phi2 180.346 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain079]
|
||||
(gauss) phi1 224.952 Phi 70.5702 phi2 148.486 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain080]
|
||||
(gauss) phi1 7.71702 Phi 23.6124 phi2 131.591 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain081]
|
||||
(gauss) phi1 65.1024 Phi 138.774 phi2 247.344 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain082]
|
||||
(gauss) phi1 37.6181 Phi 51.5209 phi2 8.4169 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain083]
|
||||
(gauss) phi1 245.335 Phi 53.4543 phi2 52.5205 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain084]
|
||||
(gauss) phi1 259.572 Phi 87.7026 phi2 272.065 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain085]
|
||||
(gauss) phi1 269.39 Phi 103.379 phi2 132.506 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain086]
|
||||
(gauss) phi1 175.156 Phi 119.338 phi2 355.51 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain087]
|
||||
(gauss) phi1 248.11 Phi 39.4772 phi2 310.371 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain088]
|
||||
(gauss) phi1 121.809 Phi 141.465 phi2 10.0736 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain089]
|
||||
(gauss) phi1 2.4357 Phi 47.118 phi2 274.654 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain090]
|
||||
(gauss) phi1 314.188 Phi 134.146 phi2 250.673 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain091]
|
||||
(gauss) phi1 114.815 Phi 121.132 phi2 275.124 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain092]
|
||||
(gauss) phi1 126.699 Phi 99.0325 phi2 320.537 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain093]
|
||||
(gauss) phi1 184.138 Phi 20.1663 phi2 159.314 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain094]
|
||||
(gauss) phi1 296.502 Phi 15.2389 phi2 39.382 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain095]
|
||||
(gauss) phi1 167.8 Phi 151.764 phi2 192.568 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain096]
|
||||
(gauss) phi1 257.822 Phi 133.446 phi2 257.108 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain097]
|
||||
(gauss) phi1 71.6923 Phi 74.5726 phi2 342.575 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain098]
|
||||
(gauss) phi1 176.748 Phi 28.39 phi2 327.375 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain099]
|
||||
(gauss) phi1 121.822 Phi 141.836 phi2 22.6349 scatter 0.0 fraction 1.0
|
||||
|
||||
[Grain100]
|
||||
(gauss) phi1 180.151 Phi 109.246 phi2 146.177 scatter 0.0 fraction 1.0
|
||||
|
|
@ -0,0 +1,3 @@
|
|||
residualStiffness 0.001
|
||||
charLength 0.02
|
||||
petsc_options -mech_snes_type newtonls -mech_ksp_type fgmres -mech_pc_type ml -mech_ksp_monitor
|
||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
|
@ -0,0 +1,9 @@
|
|||
#initial elastic step
|
||||
$Loadcase 1 time 0.0005 incs 1 frequency 5
|
||||
Face 1 X 0.01
|
||||
Face 2 X 0.00
|
||||
$EndLoadcase
|
||||
$Loadcase 2 time 10.0 incs 200 frequency 5
|
||||
Face 1 X 0.01
|
||||
Face 2 X 0.00
|
||||
$EndLoadcase
|
||||
|
|
@ -1,8 +0,0 @@
|
|||
*.C_ref
|
||||
*.mesh
|
||||
*.outputConstitutive
|
||||
*.outputCrystallite
|
||||
*.outputHomogenization
|
||||
*.spectralOut
|
||||
*.sta
|
||||
*.vtk
|
||||
|
|
@ -54,7 +54,6 @@ h0_slipslip 75e6
|
|||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
||||
atol_resistance 1
|
||||
|
||||
|
||||
#-------------------#
|
||||
<microstructure>
|
||||
#-------------------#
|
||||
|
|
|
|||
|
|
@ -481,23 +481,14 @@ else
|
|||
fi
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
|
|
@ -515,23 +506,14 @@ then
|
|||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
|
|
|
|||
|
|
@ -491,25 +491,16 @@ else
|
|||
fi
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
|
|
@ -525,25 +516,16 @@ then
|
|||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
|
|
|
|||
|
|
@ -0,0 +1,52 @@
|
|||
#!/bin/ksh
|
||||
# 1st arg: $DIR
|
||||
# 2nd arg: $DIRJOB
|
||||
# 3rd arg: $user
|
||||
# 4th arg: $program
|
||||
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 on host `hostname`"
|
||||
echo "program: $program"
|
||||
$DFORTHIGHMP $user || \
|
||||
{
|
||||
echo "$0: compile failed for $user"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $program 2>/dev/null
|
||||
userobj=$usernoext.o
|
||||
|
||||
|
||||
$LOAD ${program} $DIR/lib/main.o\
|
||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||
${userobj-} \
|
||||
$DIR/lib/srclib.a \
|
||||
$MNFLIBS \
|
||||
$MDUSER \
|
||||
../lib/mdsrc.a \
|
||||
../lib/mcvfit.a \
|
||||
$STUBS \
|
||||
${SOLVERLIBS} \
|
||||
$TKLIBS \
|
||||
$MRCLIBS \
|
||||
$METISLIBS \
|
||||
$BLAS \
|
||||
$SYSLIBS || \
|
||||
{
|
||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $userobj
|
||||
/bin/rm $DIRJOB/*.mod
|
||||
|
|
@ -0,0 +1,52 @@
|
|||
#!/bin/ksh
|
||||
# 1st arg: $DIR
|
||||
# 2nd arg: $DIRJOB
|
||||
# 3rd arg: $user
|
||||
# 4th arg: $program
|
||||
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 on host `hostname`"
|
||||
echo "program: $program"
|
||||
$DFORTRANLOWMP $user || \
|
||||
{
|
||||
echo "$0: compile failed for $user"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $program 2>/dev/null
|
||||
userobj=$usernoext.o
|
||||
|
||||
|
||||
$LOAD ${program} $DIR/lib/main.o\
|
||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||
${userobj-} \
|
||||
$DIR/lib/srclib.a \
|
||||
$MNFLIBS \
|
||||
$MDUSER \
|
||||
../lib/mdsrc.a \
|
||||
../lib/mcvfit.a \
|
||||
$STUBS \
|
||||
${SOLVERLIBS} \
|
||||
$TKLIBS \
|
||||
$MRCLIBS \
|
||||
$METISLIBS \
|
||||
$BLAS \
|
||||
$SYSLIBS || \
|
||||
{
|
||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $userobj
|
||||
/bin/rm $DIRJOB/*.mod
|
||||
|
|
@ -0,0 +1,52 @@
|
|||
#!/bin/ksh
|
||||
# 1st arg: $DIR
|
||||
# 2nd arg: $DIRJOB
|
||||
# 3rd arg: $user
|
||||
# 4th arg: $program
|
||||
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 on host `hostname`"
|
||||
echo "program: $program"
|
||||
$DFORTRANMP $user || \
|
||||
{
|
||||
echo "$0: compile failed for $user"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $program 2>/dev/null
|
||||
userobj=$usernoext.o
|
||||
|
||||
|
||||
$LOAD ${program} $DIR/lib/main.o\
|
||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||
${userobj-} \
|
||||
$DIR/lib/srclib.a \
|
||||
$MNFLIBS \
|
||||
$MDUSER \
|
||||
../lib/mdsrc.a \
|
||||
../lib/mcvfit.a \
|
||||
$STUBS \
|
||||
${SOLVERLIBS} \
|
||||
$TKLIBS \
|
||||
$MRCLIBS \
|
||||
$METISLIBS \
|
||||
$BLAS \
|
||||
$SYSLIBS || \
|
||||
{
|
||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $userobj
|
||||
/bin/rm $DIRJOB/*.mod
|
||||
|
|
@ -0,0 +1,41 @@
|
|||
#!/bin/ksh
|
||||
# 1st arg: $DIR
|
||||
# 2nd arg: $DIRJOB
|
||||
# 3rd arg: $user
|
||||
# 4th arg: $program
|
||||
DIR=$1
|
||||
user=$3
|
||||
program=$4
|
||||
. $DIR/tools/include
|
||||
DIRJOB=$2
|
||||
cd $DIRJOB
|
||||
echo "Compiling and linking user subroutine $user.f on host `hostname`"
|
||||
echo "program: $program"
|
||||
$FORTRAN $user.f || \
|
||||
{
|
||||
echo "$0: compile failed for $user.f"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $program 2>/dev/null
|
||||
userobj=$user.o
|
||||
|
||||
|
||||
$LOAD ${program} $DIR/lib/main.o\
|
||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||
${userobj-} \
|
||||
$DIR/lib/srclib.a \
|
||||
$MNFLIBS \
|
||||
$MDUSER \
|
||||
../lib/mdsrc.a \
|
||||
../lib/mcvfit.a \
|
||||
$STUBS \
|
||||
${SOLVERLIBS} \
|
||||
$TKLIBS \
|
||||
$MRCLIBS \
|
||||
$METISLIBS \
|
||||
$SYSLIBS || \
|
||||
{
|
||||
echo "$0: link failed for $user.o on host `hostname`"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $userobj
|
||||
|
|
@ -0,0 +1,813 @@
|
|||
#
|
||||
# General definitions for the Marc 2018.0 version
|
||||
#
|
||||
# EM64T
|
||||
#
|
||||
# Linux RedHat 7.1 / SuSE 11 SP4
|
||||
#
|
||||
# 64 bit MPI version
|
||||
#
|
||||
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
|
||||
# running on Intel(R) 64, Version 17.0.2.174 Build 20170213
|
||||
#
|
||||
# Intel(R) C Intel(R) 64 Compiler XE for applications
|
||||
# running on Intel(R) 64, Version 17.0.2.174 Build 20170213
|
||||
#
|
||||
# To check the O/S level, type:
|
||||
# uname -a
|
||||
#
|
||||
# Distributed parallel MPI libraries:
|
||||
# 1) HP MPI 2.3
|
||||
# To check the mpi version, type:
|
||||
# mpirun -version
|
||||
# 2) Intel MPI 2017.1
|
||||
# To check the mpi version, type:
|
||||
# mpiexec.hydra -version
|
||||
#
|
||||
# To check the Compiler level, type using the compiler
|
||||
# installation path:
|
||||
# ifort -V
|
||||
# icc -V
|
||||
#
|
||||
# REMARKS : This file contains the definitions of variables used during
|
||||
# compilation loading and use of the MARC programmes . The
|
||||
# current machine type is identified by means of the variable
|
||||
# MACHINE , defined below.
|
||||
#
|
||||
#
|
||||
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
|
||||
# DIRJOB : directory in which spawned jobs should look for Marc input
|
||||
# MPI_ARCH: system architecture
|
||||
# MPI_EPATH: path where executable resides
|
||||
#
|
||||
REVISION="VERSION, BUILD"
|
||||
HOSTNAME=`hostname`
|
||||
|
||||
# find available memory in Mbyte on the machine
|
||||
# can be set explicitly
|
||||
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
|
||||
|
||||
# set _OEM_NASTRAN to 1 for MD Nastran build
|
||||
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
|
||||
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
|
||||
|
||||
# uncomment the following line for an autoforge build
|
||||
#AUTOFORGE=1
|
||||
AUTOFORGE=0
|
||||
export AUTOFORGE
|
||||
|
||||
# integer size
|
||||
if test "$MARC_INTEGER_SIZE" = "" ; then
|
||||
INTEGER_PATH=
|
||||
else
|
||||
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
||||
fi
|
||||
|
||||
FCOMP=ifort
|
||||
INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
|
||||
|
||||
# find the root directory of the compiler installation:
|
||||
# - if ifort is found in $PATH, then the root directory is derived
|
||||
# from the path to ifort
|
||||
# - if ifort is not found in $PATH, the root directory is assumed
|
||||
# to be $INTELPATH and the directory in which ifort is found is
|
||||
# added to $PATH
|
||||
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
|
||||
if test -n "$FCOMPPATH"; then
|
||||
# derive the root directory from $FCOMPPATH
|
||||
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
|
||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
|
||||
fi
|
||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||
FCOMPROOT=
|
||||
fi
|
||||
elif test -d "$INTELPATH"; then
|
||||
# check for compiler in $INTELPATH
|
||||
if test -d "$INTELPATH/bin/intel64" -a \
|
||||
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
|
||||
FCOMPROOT="$INTELPATH"
|
||||
PATH="$INTELPATH/bin/intel64:$PATH"
|
||||
elif test -d "$INTELPATH/bin" -a \
|
||||
-x "$INTELPATH/bin/$FCOMP"; then
|
||||
FCOMPROOT="$INTELPATH"
|
||||
PATH="$INTELPATH/bin:$PATH"
|
||||
else
|
||||
FCOMPROOT=
|
||||
fi
|
||||
else
|
||||
FCOMPROOT=
|
||||
fi
|
||||
|
||||
# AEM
|
||||
if test "$MARCDLLOUTDIR" = ""; then
|
||||
DLLOUTDIR="$MARC_LIB"
|
||||
else
|
||||
DLLOUTDIR="$MARCDLLOUTDIR"
|
||||
fi
|
||||
|
||||
# settings for MKL
|
||||
if test "$IMKLDIR" = ""; then
|
||||
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
|
||||
else
|
||||
MARC_MKL=$IMKLDIR/lib/intel64
|
||||
fi
|
||||
|
||||
#
|
||||
# settings for Metis
|
||||
#
|
||||
METIS="-I$METIS_SOURCE/include"
|
||||
METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
|
||||
|
||||
#
|
||||
# settings for MPI
|
||||
#
|
||||
# RCP and RSH are used for parallel network runs
|
||||
# replace with similar commands like rsh if needed
|
||||
RCP=/usr/bin/scp
|
||||
RSH=/usr/bin/ssh
|
||||
#
|
||||
|
||||
|
||||
MPI_DEFAULT=intelmpi
|
||||
MPI_OTHER=hpmpi
|
||||
|
||||
MPITYPE=$MPI_DEFAULT
|
||||
|
||||
if test $AUTOFORGE
|
||||
then
|
||||
if test $AUTOFORGE = 1
|
||||
then
|
||||
MPITYPE=none
|
||||
fi
|
||||
fi
|
||||
|
||||
|
||||
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
|
||||
if test $MARC_MPITYPE
|
||||
then
|
||||
MPITYPE=$MARC_MPITYPE
|
||||
fi
|
||||
|
||||
# always set MPITYPE to none for MD Nastran
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
MPITYPE=none
|
||||
fi
|
||||
|
||||
# Edit following lines to build with GPGPU version of BCS Solver for
|
||||
# NVIDIA platforms
|
||||
#BCSGPUSOLVER=NONE
|
||||
BCSGPUSOLVER=BCSGPU
|
||||
|
||||
# Edit following lines to set the openssl library
|
||||
if test "$OPENSSL" != "NONE"
|
||||
then
|
||||
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
|
||||
fi
|
||||
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
|
||||
|
||||
# activate contact component build if flagged
|
||||
AEM_DLL=0
|
||||
if test "$AEM_BUILD" = "ON" ; then
|
||||
AEM_DLL=1
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
EXT_DLL="so"
|
||||
MPITYPE=none
|
||||
MPI_OTHER=
|
||||
BCSGPUSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
fi
|
||||
|
||||
SOLVERFLAGS=
|
||||
if test "$BCSGPUSOLVER" = BCSGPU
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
|
||||
BCS_DIR=bcsgpusolver
|
||||
else
|
||||
BCS_DIR=bcssolver
|
||||
fi
|
||||
#
|
||||
# settings for MPI
|
||||
#
|
||||
DDM=
|
||||
if test $MPITYPE != none
|
||||
then
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
FCOMPMPI=mpif90
|
||||
export MPI_ROOT=$MARC_HPMPI
|
||||
export MPI_REMSH=$RSH
|
||||
export MPI_F77=$FCOMP
|
||||
ARCHITECTURE=linux_amd64
|
||||
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
|
||||
MPI_CLEAN=
|
||||
export MPI_EPATH=$MARC_BIN
|
||||
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
|
||||
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
|
||||
# Below line is moved in run_marc file
|
||||
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
|
||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
|
||||
if test -n "$MSC_LICENSE_FILE"
|
||||
then
|
||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
|
||||
fi
|
||||
if test -n "$LM_LICENSE_FILE"
|
||||
then
|
||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
|
||||
fi
|
||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
|
||||
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
|
||||
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
|
||||
RUN_JOB0=
|
||||
fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
INTELMPI_VERSION=HYDRA
|
||||
FCOMPMPI=mpiifort
|
||||
MPI_ROOT=$MARC_INTELMPI
|
||||
DDM="-I${MPI_ROOT}/include -DDDM"
|
||||
PATH=$MPI_ROOT/bin:$PATH
|
||||
export PATH
|
||||
LD_LIBRARY_PATH=$MPI_ROOT/lib:$LD_LIBRARY_PATH
|
||||
export LD_LIBRARY_PATH
|
||||
if test $INTELMPI_VERSION = HYDRA
|
||||
then
|
||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
|
||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
|
||||
else
|
||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
|
||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
|
||||
fi
|
||||
RUN_JOB0=
|
||||
MPI_CLEAN=
|
||||
MPI_EPATH=$MARC_BIN
|
||||
MPIR_HOME=$MPI_ROOT
|
||||
MPICH_F77=$FCOMP
|
||||
MPICH_F77LINKER=$FCOMP
|
||||
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
|
||||
I_MPI_PIN_DOMAIN=node
|
||||
export I_MPI_PIN_DOMAIN
|
||||
fi
|
||||
else
|
||||
MPI_ROOT=$MARC_DUMMYMPI
|
||||
export MPI_ROOT=$MARC_DUMMYMPI
|
||||
DDM="-I$MPI_ROOT/include"
|
||||
fi
|
||||
|
||||
#
|
||||
# variables for the "maintain" script
|
||||
#
|
||||
|
||||
MACHINENAME=LINUX
|
||||
MACHINE64BIT=yes
|
||||
MACHINE=Linux_EM64T
|
||||
DEV=/dev/tape
|
||||
GETLOG="whoami"
|
||||
CLEAR="clear"
|
||||
MY_UNAME=`uname -a`
|
||||
|
||||
# Edit following 2 lines to build with VKI Solver
|
||||
#VKISOLVER=VKI
|
||||
VKISOLVER=NONE
|
||||
|
||||
# Edit following 2 lines to build with CASI Solver
|
||||
CASISOLVER=CASI
|
||||
if test "$MARC_CASISOLVER" = "NONE" ; then
|
||||
CASISOLVER=NONE
|
||||
fi
|
||||
#CASISOLVER=NONE
|
||||
|
||||
# Edit following 2 lines to build with MF2 Solver
|
||||
MF2SOLVER=NONE
|
||||
#MF2SOLVER=SERIAL
|
||||
#MF2SOLVER=MF2PARALLEL
|
||||
|
||||
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
|
||||
#INTELSOLVER=NONE
|
||||
INTELSOLVER=PARDISO
|
||||
|
||||
# Edit following lines to build with MUMPS
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
#MUMPSSOLVER=NONE
|
||||
MUMPSSOLVER=MUMPS
|
||||
else
|
||||
#MUMPSSOLVER=NONE
|
||||
MUMPSSOLVER=MUMPS
|
||||
fi
|
||||
|
||||
# Edit following 2 lines to build MARC dynamic shared library
|
||||
MARC_DLL=MARC_DLL
|
||||
MARC_DLL=NONE
|
||||
|
||||
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
VKISOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
MARC_DLL=NONE
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
VKISOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
fi
|
||||
|
||||
#
|
||||
# define Fortran and C compile syntax
|
||||
#
|
||||
if test "$VKISOLVER" = VKI
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
|
||||
fi
|
||||
|
||||
if test "$CASISOLVER" = CASI
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
|
||||
fi
|
||||
|
||||
if test "$MF2SOLVER" = MF2PARALLEL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
|
||||
fi
|
||||
if test "$MF2SOLVER" = MF2SERIAL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
|
||||
fi
|
||||
|
||||
if test "$INTELSOLVER" = PARDISO
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
|
||||
fi
|
||||
|
||||
if test "$MUMPSSOLVER" = MUMPS
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
|
||||
fi
|
||||
|
||||
|
||||
if test "$MARC_DLL" = MARC_DLL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
|
||||
fi
|
||||
|
||||
LINK_OPT=
|
||||
DEBUG_OPT=
|
||||
C_DEBUG_OPT=
|
||||
|
||||
#Uncomment following line to build Marc in debuggable mode
|
||||
MARCDEBUG=
|
||||
#MARCDEBUG="ON"
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
LINK_OPT="-debug -traceback"
|
||||
DEBUG_OPT="-debug -traceback"
|
||||
C_DEBUG_OPT="-debug -traceback"
|
||||
fi
|
||||
|
||||
|
||||
MARCCHECK=
|
||||
#MARCCHECK="ON"
|
||||
if test "$MARCCHECK" = "ON"
|
||||
then
|
||||
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
|
||||
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
|
||||
fi
|
||||
|
||||
MARCCODECOV=
|
||||
#MARCCODECOV="ON"
|
||||
|
||||
MARCCODEPROF=
|
||||
#MARCCODEPROF="ON"
|
||||
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
I8FFLAGS="-real-size 64 -integer-size 32"
|
||||
I8DEFINES="-DFLOAT=8 -DINT=4"
|
||||
I8CDEFINES=
|
||||
else
|
||||
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
|
||||
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
|
||||
I8CDEFINES="-U_DOUBLE -D_SINGLE"
|
||||
fi
|
||||
|
||||
MTHREAD=OPENMP
|
||||
if test "$MARC_OPENMP" = "NONE" ; then
|
||||
MTHREAD=NONE
|
||||
fi
|
||||
#MTHREAD=NONE
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
MTHREAD=NONE
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
MTHREAD=NONE
|
||||
CASISOLVER=NONE
|
||||
VKISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
OPENSSL_LIB=
|
||||
MARC_DLL=NONE
|
||||
METISLIBS=
|
||||
fi
|
||||
|
||||
OMP_COMPAT=NO
|
||||
OMP_COMPAT=YES
|
||||
if test "$MTHREAD" = "NONE"
|
||||
then
|
||||
OMP_COMPAT=NO
|
||||
fi
|
||||
|
||||
CDEFINES=
|
||||
FDEFINES=
|
||||
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
|
||||
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
|
||||
fi
|
||||
|
||||
FDEFINES="$FDEFINES -D_IMPLICITNONE"
|
||||
|
||||
if test "$_OEM_NASTRAN" -eq 0
|
||||
then
|
||||
FDEFINES="$FDEFINES -DMKL -DOPENMP"
|
||||
fi
|
||||
|
||||
if test "$OMP_COMPAT" = "YES"
|
||||
then
|
||||
FDEFINES="$FDEFINES -DOMP_COMPAT"
|
||||
fi
|
||||
|
||||
# -D_MSCMARC
|
||||
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
|
||||
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
FDEFINES="$FDEFINES -D_AEMNL -DAAA"
|
||||
CDEFINES="$CDEFINES -D_AEMNL -DAAA"
|
||||
fi
|
||||
|
||||
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
CINCL="$CINCL -I../../include"
|
||||
fi
|
||||
|
||||
CC_OPT=
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
CC_OPT=" $CC_OPT -qopenmp"
|
||||
fi
|
||||
|
||||
CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
fi
|
||||
|
||||
LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
|
||||
CCT="$CC"
|
||||
CCTLOW="$CCLOW"
|
||||
CCTHIGH="$CCHIGH"
|
||||
|
||||
#PROFILE="-Mprof=func"
|
||||
#PROFILE="-Mprof=lines"
|
||||
#PROFILE="-Mprof=func,mpi"
|
||||
PROFILE=
|
||||
#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
|
||||
if test "$MARCCODECOV" = "ON"
|
||||
then
|
||||
PROFILE="-prof-gen=srcpos"
|
||||
fi
|
||||
if test "$MARCCODEPROF" = "ON"
|
||||
then
|
||||
PROFILE=" $PROFILE -pg"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp"
|
||||
if test "$OMP_COMPAT" = "YES"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
|
||||
fi
|
||||
else
|
||||
# FORT_OPT=" $FORT_OPT -auto "
|
||||
FORT_OPT=" $FORT_OPT -save -zero"
|
||||
fi
|
||||
|
||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
# for compiling free form f90 files. high opt, integer(4)
|
||||
FORTF90="$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: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
fi
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
|
||||
FORTLOWT="$FORTLOW"
|
||||
FORTRANT="$FORTRAN"
|
||||
FORTHIGHT="$FORTHIGH"
|
||||
|
||||
FORTRANMNF="$FCOMP -c $FDEFINES "
|
||||
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
|
||||
|
||||
if test $MPITYPE != none
|
||||
then
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||
fi
|
||||
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
|
||||
# if test $MPITYPE = intelmpi
|
||||
# then
|
||||
# INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
|
||||
# LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||
# LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||
# fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
LOAD="ifort $PROFILE $LINK_OPT -o "
|
||||
LOADT="ifort $PROFILE $LINK_OPT -o "
|
||||
fi
|
||||
else
|
||||
LOAD="$FCOMP $LINK_OPT -o "
|
||||
LOADT="$FCOMP $LINK_OPT -o "
|
||||
fi
|
||||
|
||||
if test "$MARC_DLL" = MARC_DLL
|
||||
then
|
||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||
CC="$CC -fPIC"
|
||||
CCMNF="$CCMNF -fPIC"
|
||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
LOAD_DLL=$LOAD
|
||||
LOADT_DLL=$LOADT
|
||||
EXT_DLL="so"
|
||||
fi
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||
CC="$CC -fPIC"
|
||||
CCMNF="$CCMNF -fPIC"
|
||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
LOAD_DLL=$LOAD
|
||||
LOADT_DLL=$LOADT
|
||||
EXT_DLL="so"
|
||||
fi
|
||||
|
||||
|
||||
XLIBS="-L/usr/X11/lib -lX11 "
|
||||
|
||||
#
|
||||
# define archive and ranlib syntax
|
||||
#
|
||||
|
||||
ARC="ar rvl"
|
||||
ARD="ar dvl"
|
||||
ARX="ar xl"
|
||||
RAN=""
|
||||
|
||||
#
|
||||
# choose which libraries you want to use ( e.g. blas )
|
||||
#
|
||||
|
||||
if test "$VKISOLVER" = VKI
|
||||
then
|
||||
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
|
||||
else
|
||||
VKISOLVERLIBS=
|
||||
fi
|
||||
|
||||
if test "$CASISOLVER" = CASI
|
||||
then
|
||||
CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
|
||||
else
|
||||
CASISOLVERLIBS=
|
||||
fi
|
||||
|
||||
MF2SOLVERLIBS=
|
||||
if test "$MF2SOLVER" = MF2PARALLEL
|
||||
then
|
||||
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
|
||||
$MARC_LIB/mf2parallel/libsym.a \
|
||||
$MARC_LIB/mf2parallel/libmet.a \
|
||||
$MARC_LIB/mf2parallel/libmf2.a \
|
||||
$MARC_LIB/mf2parallel/libgauss.a \
|
||||
$MARC_LIB/mf2parallel/libmf2.a \
|
||||
$MARC_LIB/mf2parallel/libgauss.a \
|
||||
$MARC_LIB/mf2parallel/libnum.a \
|
||||
$MARC_LIB/mf2parallel/libutl.a \
|
||||
$MARC_LIB/mf2parallel/libr8.a \
|
||||
$MARC_LIB/mf2parallel/libz.a "
|
||||
fi
|
||||
|
||||
if test "$MUMPSSOLVER" = MUMPS
|
||||
then
|
||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
|
||||
if test $MPITYPE = none
|
||||
then
|
||||
MUMPSSOLVERLIBS2=
|
||||
echo hello > /dev/null
|
||||
fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
|
||||
else
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
|
||||
fi
|
||||
fi
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
|
||||
else
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
|
||||
fi
|
||||
fi
|
||||
else
|
||||
MUMPSSOLVERLIBS=
|
||||
MUMPSSOLVERLIBS2=
|
||||
fi
|
||||
|
||||
if test "$BCSGPUSOLVER" = BCSGPU
|
||||
then
|
||||
BCSSOLVERLIBS="${BCSLIB_DIR}/bcsgpulib.a "
|
||||
MARCCUDALIBS1="-L${BCSLIB_DIR}/cuda_dummy -lmarccuda "
|
||||
MARCCUDALIBS2="-L${BCSLIB_DIR}/cuda -lmarccuda "
|
||||
MARCCUDALIBS=$MARCCUDALIBS1
|
||||
else
|
||||
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
BCSSOLVERLIBS=
|
||||
fi
|
||||
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||
else
|
||||
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||
fi
|
||||
|
||||
SECLIBS="-L$MARC_LIB -llapi"
|
||||
|
||||
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
||||
$MKLLIB -L$MARC_MKL -liomp5 \
|
||||
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
|
||||
|
||||
SOLVERLIBS_DLL=${SOLVERLIBS}
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
|
||||
fi
|
||||
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
|
||||
MRCLIBSPAR="$MARC_LIB/clib.a"
|
||||
STUBS="$MARC_LIB/stubs.a "
|
||||
MNFLIBS="$MARC_LIB/libmnf.a"
|
||||
MDUSER="$MARC_LIB/md_user.a"
|
||||
if test "X$MARC_SIMUFACT" != "X"
|
||||
then
|
||||
SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
|
||||
else
|
||||
SFLIB=" "
|
||||
fi
|
||||
|
||||
OPENMP="-qopenmp"
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
LOAD_DLL=$LOAD
|
||||
OPENMP=
|
||||
LIBMNF=
|
||||
OPENSSL=NONE
|
||||
fi
|
||||
|
||||
SYSLIBS=" $OPENMP -lpthread -cxxlib"
|
||||
|
||||
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
|
||||
# if test $MPITYPE = intelmpi
|
||||
# then
|
||||
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
|
||||
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
|
||||
# fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
SYSLIBS="-L${MPI_ROOT}/lib -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
|
||||
fi
|
||||
|
||||
|
||||
SYSLIBSPAR=" "
|
||||
|
||||
MARC_DLL_CODES="runmarc.f"
|
||||
|
||||
|
||||
BLAS_SRC="dzero.f icopy.f izero.f"
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
|
||||
else
|
||||
BLAS_SRC="ALL"
|
||||
fi
|
||||
fi
|
||||
|
||||
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
|
||||
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
|
||||
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
|
||||
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
|
||||
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
|
||||
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
||||
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
|
||||
fi
|
||||
|
||||
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
|
||||
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
|
||||
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
|
||||
|
||||
|
||||
|
||||
MAXNUM=1000000
|
||||
|
|
@ -0,0 +1,774 @@
|
|||
#
|
||||
# General definitions for the Marc 2018.0 version
|
||||
#
|
||||
# EM64T
|
||||
#
|
||||
# Linux RedHat 7.1 / SuSE 11 SP4
|
||||
#
|
||||
# 64 bit MPI version
|
||||
#
|
||||
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
|
||||
# running on Intel(R) 64, Version 17.0.2.174 Build 20170213
|
||||
#
|
||||
# Intel(R) C Intel(R) 64 Compiler XE for applications
|
||||
# running on Intel(R) 64, Version 17.0.2.174 Build 20170213
|
||||
#
|
||||
# To check the O/S level, type:
|
||||
# uname -a
|
||||
#
|
||||
# Distributed parallel MPI libraries:
|
||||
# 1) HP MPI 2.3
|
||||
# To check the mpi version, type:
|
||||
# mpirun -version
|
||||
# 2) Intel MPI 2017.1
|
||||
# To check the mpi version, type:
|
||||
# mpiexec.hydra -version
|
||||
#
|
||||
# To check the Compiler level, type using the compiler
|
||||
# installation path:
|
||||
# ifort -V
|
||||
# icc -V
|
||||
#
|
||||
# REMARKS : This file contains the definitions of variables used during
|
||||
# compilation loading and use of the MARC programmes . The
|
||||
# current machine type is identified by means of the variable
|
||||
# MACHINE , defined below.
|
||||
#
|
||||
#
|
||||
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
|
||||
# DIRJOB : directory in which spawned jobs should look for Marc input
|
||||
# MPI_ARCH: system architecture
|
||||
# MPI_EPATH: path where executable resides
|
||||
#
|
||||
REVISION="VERSION, BUILD"
|
||||
HOSTNAME=`hostname`
|
||||
|
||||
# find available memory in Mbyte on the machine
|
||||
# can be set explicitly
|
||||
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
|
||||
|
||||
# set _OEM_NASTRAN to 1 for MD Nastran build
|
||||
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
|
||||
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
|
||||
|
||||
# uncomment the following line for an autoforge build
|
||||
#AUTOFORGE=1
|
||||
AUTOFORGE=0
|
||||
export AUTOFORGE
|
||||
|
||||
# integer size
|
||||
if test "$MARC_INTEGER_SIZE" = "" ; then
|
||||
INTEGER_PATH=
|
||||
else
|
||||
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
||||
fi
|
||||
|
||||
FCOMP=ifort
|
||||
INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
|
||||
|
||||
# find the root directory of the compiler installation:
|
||||
# - if ifort is found in $PATH, then the root directory is derived
|
||||
# from the path to ifort
|
||||
# - if ifort is not found in $PATH, the root directory is assumed
|
||||
# to be $INTELPATH and the directory in which ifort is found is
|
||||
# added to $PATH
|
||||
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
|
||||
if test -n "$FCOMPPATH"; then
|
||||
# derive the root directory from $FCOMPPATH
|
||||
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
|
||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
|
||||
fi
|
||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||
FCOMPROOT=
|
||||
fi
|
||||
elif test -d "$INTELPATH"; then
|
||||
# check for compiler in $INTELPATH
|
||||
if test -d "$INTELPATH/bin/intel64" -a \
|
||||
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
|
||||
FCOMPROOT="$INTELPATH"
|
||||
PATH="$INTELPATH/bin/intel64:$PATH"
|
||||
elif test -d "$INTELPATH/bin" -a \
|
||||
-x "$INTELPATH/bin/$FCOMP"; then
|
||||
FCOMPROOT="$INTELPATH"
|
||||
PATH="$INTELPATH/bin:$PATH"
|
||||
else
|
||||
FCOMPROOT=
|
||||
fi
|
||||
else
|
||||
FCOMPROOT=
|
||||
fi
|
||||
|
||||
# AEM
|
||||
if test "$MARCDLLOUTDIR" = ""; then
|
||||
DLLOUTDIR="$MARC_LIB"
|
||||
else
|
||||
DLLOUTDIR="$MARCDLLOUTDIR"
|
||||
fi
|
||||
|
||||
# settings for MKL
|
||||
if test "$IMKLDIR" = ""; then
|
||||
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
|
||||
else
|
||||
MARC_MKL=$IMKLDIR/lib/intel64
|
||||
fi
|
||||
|
||||
#
|
||||
# settings for Metis
|
||||
#
|
||||
METIS="-I$METIS_SOURCE/include"
|
||||
METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
|
||||
|
||||
#
|
||||
# settings for MPI
|
||||
#
|
||||
# RCP and RSH are used for parallel network runs
|
||||
# replace with similar commands like rsh if needed
|
||||
RCP=/usr/bin/scp
|
||||
RSH=/usr/bin/ssh
|
||||
#
|
||||
|
||||
|
||||
MPI_DEFAULT=intelmpi
|
||||
MPI_OTHER=hpmpi
|
||||
|
||||
MPITYPE=$MPI_DEFAULT
|
||||
|
||||
if test $AUTOFORGE
|
||||
then
|
||||
if test $AUTOFORGE = 1
|
||||
then
|
||||
MPITYPE=none
|
||||
fi
|
||||
fi
|
||||
|
||||
|
||||
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
|
||||
if test $MARC_MPITYPE
|
||||
then
|
||||
MPITYPE=$MARC_MPITYPE
|
||||
fi
|
||||
|
||||
# always set MPITYPE to none for MD Nastran
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
MPITYPE=none
|
||||
fi
|
||||
|
||||
# Edit following lines to build with GPGPU version of BCS Solver for
|
||||
# NVIDIA platforms
|
||||
#BCSGPUSOLVER=NONE
|
||||
BCSGPUSOLVER=BCSGPU
|
||||
|
||||
# Edit following lines to set the openssl library
|
||||
if test "$OPENSSL" != "NONE"
|
||||
then
|
||||
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
|
||||
fi
|
||||
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
|
||||
|
||||
# activate contact component build if flagged
|
||||
AEM_DLL=0
|
||||
if test "$AEM_BUILD" = "ON" ; then
|
||||
AEM_DLL=1
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
EXT_DLL="so"
|
||||
MPITYPE=none
|
||||
MPI_OTHER=
|
||||
BCSGPUSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
fi
|
||||
|
||||
SOLVERFLAGS=
|
||||
if test "$BCSGPUSOLVER" = BCSGPU
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
|
||||
BCS_DIR=bcsgpusolver
|
||||
else
|
||||
BCS_DIR=bcssolver
|
||||
fi
|
||||
#
|
||||
# settings for MPI
|
||||
#
|
||||
DDM=
|
||||
if test $MPITYPE != none
|
||||
then
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
FCOMPMPI=mpif90
|
||||
export MPI_ROOT=$MARC_HPMPI
|
||||
export MPI_REMSH=$RSH
|
||||
export MPI_F77=$FCOMP
|
||||
ARCHITECTURE=linux_amd64
|
||||
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
|
||||
MPI_CLEAN=
|
||||
export MPI_EPATH=$MARC_BIN
|
||||
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
|
||||
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
|
||||
# Below line is moved in run_marc file
|
||||
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
|
||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
|
||||
if test -n "$MSC_LICENSE_FILE"
|
||||
then
|
||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
|
||||
fi
|
||||
if test -n "$LM_LICENSE_FILE"
|
||||
then
|
||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
|
||||
fi
|
||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
|
||||
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
|
||||
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
|
||||
RUN_JOB0=
|
||||
fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
INTELMPI_VERSION=HYDRA
|
||||
FCOMPMPI=mpiifort
|
||||
MPI_ROOT=$MARC_INTELMPI
|
||||
DDM="-I${MPI_ROOT}/include -DDDM"
|
||||
PATH=$MPI_ROOT/bin:$PATH
|
||||
export PATH
|
||||
LD_LIBRARY_PATH=$MPI_ROOT/lib:$LD_LIBRARY_PATH
|
||||
export LD_LIBRARY_PATH
|
||||
if test $INTELMPI_VERSION = HYDRA
|
||||
then
|
||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
|
||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
|
||||
else
|
||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
|
||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
|
||||
fi
|
||||
RUN_JOB0=
|
||||
MPI_CLEAN=
|
||||
MPI_EPATH=$MARC_BIN
|
||||
MPIR_HOME=$MPI_ROOT
|
||||
MPICH_F77=$FCOMP
|
||||
MPICH_F77LINKER=$FCOMP
|
||||
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
|
||||
I_MPI_PIN_DOMAIN=node
|
||||
export I_MPI_PIN_DOMAIN
|
||||
fi
|
||||
else
|
||||
MPI_ROOT=$MARC_DUMMYMPI
|
||||
export MPI_ROOT=$MARC_DUMMYMPI
|
||||
DDM="-I$MPI_ROOT/include"
|
||||
fi
|
||||
|
||||
#
|
||||
# variables for the "maintain" script
|
||||
#
|
||||
|
||||
MACHINENAME=LINUX
|
||||
MACHINE64BIT=yes
|
||||
MACHINE=Linux_EM64T
|
||||
DEV=/dev/tape
|
||||
GETLOG="whoami"
|
||||
CLEAR="clear"
|
||||
MY_UNAME=`uname -a`
|
||||
|
||||
# Edit following 2 lines to build with VKI Solver
|
||||
#VKISOLVER=VKI
|
||||
VKISOLVER=NONE
|
||||
|
||||
# Edit following 2 lines to build with CASI Solver
|
||||
CASISOLVER=CASI
|
||||
if test "$MARC_CASISOLVER" = "NONE" ; then
|
||||
CASISOLVER=NONE
|
||||
fi
|
||||
#CASISOLVER=NONE
|
||||
|
||||
# Edit following 2 lines to build with MF2 Solver
|
||||
MF2SOLVER=NONE
|
||||
#MF2SOLVER=SERIAL
|
||||
#MF2SOLVER=MF2PARALLEL
|
||||
|
||||
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
|
||||
#INTELSOLVER=NONE
|
||||
INTELSOLVER=PARDISO
|
||||
|
||||
# Edit following lines to build with MUMPS
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
#MUMPSSOLVER=NONE
|
||||
MUMPSSOLVER=MUMPS
|
||||
else
|
||||
#MUMPSSOLVER=NONE
|
||||
MUMPSSOLVER=MUMPS
|
||||
fi
|
||||
|
||||
# Edit following 2 lines to build MARC dynamic shared library
|
||||
MARC_DLL=MARC_DLL
|
||||
MARC_DLL=NONE
|
||||
|
||||
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
VKISOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
MARC_DLL=NONE
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
VKISOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
fi
|
||||
|
||||
#
|
||||
# define Fortran and C compile syntax
|
||||
#
|
||||
if test "$VKISOLVER" = VKI
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
|
||||
fi
|
||||
|
||||
if test "$CASISOLVER" = CASI
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
|
||||
fi
|
||||
|
||||
if test "$MF2SOLVER" = MF2PARALLEL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
|
||||
fi
|
||||
if test "$MF2SOLVER" = MF2SERIAL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
|
||||
fi
|
||||
|
||||
if test "$INTELSOLVER" = PARDISO
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
|
||||
fi
|
||||
|
||||
if test "$MUMPSSOLVER" = MUMPS
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
|
||||
fi
|
||||
|
||||
|
||||
if test "$MARC_DLL" = MARC_DLL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
|
||||
fi
|
||||
|
||||
LINK_OPT=
|
||||
DEBUG_OPT=
|
||||
C_DEBUG_OPT=
|
||||
|
||||
#Uncomment following line to build Marc in debuggable mode
|
||||
MARCDEBUG=
|
||||
#MARCDEBUG="ON"
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
LINK_OPT="-debug -traceback"
|
||||
DEBUG_OPT="-debug -traceback"
|
||||
C_DEBUG_OPT="-debug -traceback"
|
||||
fi
|
||||
|
||||
|
||||
MARCCHECK=
|
||||
#MARCCHECK="ON"
|
||||
if test "$MARCCHECK" = "ON"
|
||||
then
|
||||
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
|
||||
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
|
||||
fi
|
||||
|
||||
MARCCODECOV=
|
||||
#MARCCODECOV="ON"
|
||||
|
||||
MARCCODEPROF=
|
||||
#MARCCODEPROF="ON"
|
||||
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
I8FFLAGS=
|
||||
I8DEFINES=
|
||||
I8CDEFINES=
|
||||
else
|
||||
I8FFLAGS="-i8"
|
||||
I8DEFINES="-DI64"
|
||||
I8CDEFINES="-U_DOUBLE -D_SINGLE"
|
||||
fi
|
||||
|
||||
MTHREAD=OPENMP
|
||||
if test "$MARC_OPENMP" = "NONE" ; then
|
||||
MTHREAD=NONE
|
||||
fi
|
||||
#MTHREAD=NONE
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
MTHREAD=NONE
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
MTHREAD=NONE
|
||||
CASISOLVER=NONE
|
||||
VKISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
OPENSSL_LIB=
|
||||
MARC_DLL=NONE
|
||||
METISLIBS=
|
||||
fi
|
||||
|
||||
OMP_COMPAT=NO
|
||||
OMP_COMPAT=YES
|
||||
if test "$MTHREAD" = "NONE"
|
||||
then
|
||||
OMP_COMPAT=NO
|
||||
fi
|
||||
|
||||
CDEFINES=
|
||||
FDEFINES=
|
||||
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
|
||||
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
|
||||
fi
|
||||
|
||||
FDEFINES="$FDEFINES -D_IMPLICITNONE"
|
||||
|
||||
if test "$_OEM_NASTRAN" -eq 0
|
||||
then
|
||||
FDEFINES="$FDEFINES -DMKL -DOPENMP"
|
||||
fi
|
||||
|
||||
if test "$OMP_COMPAT" = "YES"
|
||||
then
|
||||
FDEFINES="$FDEFINES -DOMP_COMPAT"
|
||||
fi
|
||||
|
||||
# -D_MSCMARC
|
||||
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
|
||||
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
FDEFINES="$FDEFINES -D_AEMNL -DAAA"
|
||||
CDEFINES="$CDEFINES -D_AEMNL -DAAA"
|
||||
fi
|
||||
|
||||
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
CINCL="$CINCL -I../../include"
|
||||
fi
|
||||
|
||||
CC_OPT=
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
CC_OPT=" $CC_OPT -qopenmp"
|
||||
fi
|
||||
|
||||
CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
fi
|
||||
|
||||
LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
|
||||
CCT="$CC"
|
||||
CCTLOW="$CCLOW"
|
||||
CCTHIGH="$CCHIGH"
|
||||
|
||||
#PROFILE="-Mprof=func"
|
||||
#PROFILE="-Mprof=lines"
|
||||
#PROFILE="-Mprof=func,mpi"
|
||||
PROFILE=
|
||||
#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
|
||||
if test "$MARCCODECOV" = "ON"
|
||||
then
|
||||
PROFILE="-prof-gen=srcpos"
|
||||
fi
|
||||
if test "$MARCCODEPROF" = "ON"
|
||||
then
|
||||
PROFILE=" $PROFILE -pg"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp"
|
||||
if test "$OMP_COMPAT" = "YES"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
|
||||
fi
|
||||
else
|
||||
# FORT_OPT=" $FORT_OPT -auto "
|
||||
FORT_OPT=" $FORT_OPT -save -zero"
|
||||
fi
|
||||
|
||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
# for compiling free form f90 files. high opt, integer(4)
|
||||
FORTF90="$FCOMP -c -O3"
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
fi
|
||||
|
||||
FORTLOWT="$FORTLOW"
|
||||
FORTRANT="$FORTRAN"
|
||||
FORTHIGHT="$FORTHIGH"
|
||||
|
||||
FORTRANMNF="$FCOMP -c $FDEFINES "
|
||||
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
|
||||
|
||||
if test $MPITYPE != none
|
||||
then
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||
fi
|
||||
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
|
||||
# if test $MPITYPE = intelmpi
|
||||
# then
|
||||
# INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
|
||||
# LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||
# LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||
# fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
LOAD="ifort $PROFILE $LINK_OPT -o "
|
||||
LOADT="ifort $PROFILE $LINK_OPT -o "
|
||||
fi
|
||||
else
|
||||
LOAD="$FCOMP $LINK_OPT -o "
|
||||
LOADT="$FCOMP $LINK_OPT -o "
|
||||
fi
|
||||
|
||||
if test "$MARC_DLL" = MARC_DLL
|
||||
then
|
||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||
CC="$CC -fPIC"
|
||||
CCMNF="$CCMNF -fPIC"
|
||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
LOAD_DLL=$LOAD
|
||||
LOADT_DLL=$LOADT
|
||||
EXT_DLL="so"
|
||||
fi
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||
CC="$CC -fPIC"
|
||||
CCMNF="$CCMNF -fPIC"
|
||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
LOAD_DLL=$LOAD
|
||||
LOADT_DLL=$LOADT
|
||||
EXT_DLL="so"
|
||||
fi
|
||||
|
||||
|
||||
XLIBS="-L/usr/X11/lib -lX11 "
|
||||
|
||||
#
|
||||
# define archive and ranlib syntax
|
||||
#
|
||||
|
||||
ARC="ar rvl"
|
||||
ARD="ar dvl"
|
||||
ARX="ar xl"
|
||||
RAN=""
|
||||
|
||||
#
|
||||
# choose which libraries you want to use ( e.g. blas )
|
||||
#
|
||||
|
||||
if test "$VKISOLVER" = VKI
|
||||
then
|
||||
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
|
||||
else
|
||||
VKISOLVERLIBS=
|
||||
fi
|
||||
|
||||
if test "$CASISOLVER" = CASI
|
||||
then
|
||||
CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
|
||||
else
|
||||
CASISOLVERLIBS=
|
||||
fi
|
||||
|
||||
MF2SOLVERLIBS=
|
||||
if test "$MF2SOLVER" = MF2PARALLEL
|
||||
then
|
||||
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
|
||||
$MARC_LIB/mf2parallel/libsym.a \
|
||||
$MARC_LIB/mf2parallel/libmet.a \
|
||||
$MARC_LIB/mf2parallel/libmf2.a \
|
||||
$MARC_LIB/mf2parallel/libgauss.a \
|
||||
$MARC_LIB/mf2parallel/libmf2.a \
|
||||
$MARC_LIB/mf2parallel/libgauss.a \
|
||||
$MARC_LIB/mf2parallel/libnum.a \
|
||||
$MARC_LIB/mf2parallel/libutl.a \
|
||||
$MARC_LIB/mf2parallel/libr8.a \
|
||||
$MARC_LIB/mf2parallel/libz.a "
|
||||
fi
|
||||
|
||||
if test "$MUMPSSOLVER" = MUMPS
|
||||
then
|
||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
|
||||
if test $MPITYPE = none
|
||||
then
|
||||
MUMPSSOLVERLIBS2=
|
||||
echo hello > /dev/null
|
||||
fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
|
||||
else
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
|
||||
fi
|
||||
fi
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
|
||||
else
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
|
||||
fi
|
||||
fi
|
||||
else
|
||||
MUMPSSOLVERLIBS=
|
||||
MUMPSSOLVERLIBS2=
|
||||
fi
|
||||
|
||||
if test "$BCSGPUSOLVER" = BCSGPU
|
||||
then
|
||||
BCSSOLVERLIBS="${BCSLIB_DIR}/bcsgpulib.a "
|
||||
MARCCUDALIBS1="-L${BCSLIB_DIR}/cuda_dummy -lmarccuda "
|
||||
MARCCUDALIBS2="-L${BCSLIB_DIR}/cuda -lmarccuda "
|
||||
MARCCUDALIBS=$MARCCUDALIBS1
|
||||
else
|
||||
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
BCSSOLVERLIBS=
|
||||
fi
|
||||
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||
else
|
||||
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||
fi
|
||||
|
||||
SECLIBS="-L$MARC_LIB -llapi"
|
||||
|
||||
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
||||
$MKLLIB -L$MARC_MKL -liomp5 \
|
||||
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
|
||||
|
||||
SOLVERLIBS_DLL=${SOLVERLIBS}
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
|
||||
fi
|
||||
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
|
||||
MRCLIBSPAR="$MARC_LIB/clib.a"
|
||||
STUBS="$MARC_LIB/stubs.a "
|
||||
MNFLIBS="$MARC_LIB/libmnf.a"
|
||||
MDUSER="$MARC_LIB/md_user.a"
|
||||
if test "X$MARC_SIMUFACT" != "X"
|
||||
then
|
||||
SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
|
||||
else
|
||||
SFLIB=" "
|
||||
fi
|
||||
|
||||
OPENMP="-qopenmp"
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
LOAD_DLL=$LOAD
|
||||
OPENMP=
|
||||
LIBMNF=
|
||||
OPENSSL=NONE
|
||||
fi
|
||||
|
||||
SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
|
||||
|
||||
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
|
||||
# if test $MPITYPE = intelmpi
|
||||
# then
|
||||
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
|
||||
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
|
||||
# fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
SYSLIBS="-L${MPI_ROOT}/lib -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
|
||||
fi
|
||||
|
||||
|
||||
SYSLIBSPAR=" "
|
||||
|
||||
MARC_DLL_CODES="runmarc.f"
|
||||
|
||||
|
||||
BLAS_SRC="dzero.f icopy.f izero.f"
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
|
||||
else
|
||||
BLAS_SRC="ALL"
|
||||
fi
|
||||
fi
|
||||
|
||||
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
|
||||
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
|
||||
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
|
||||
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
|
||||
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
|
||||
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
||||
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
|
||||
fi
|
||||
|
||||
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
|
||||
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
|
||||
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
|
||||
|
||||
|
||||
|
||||
MAXNUM=1000000
|
||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
|
@ -0,0 +1,5 @@
|
|||
#!/bin/sh
|
||||
# This script opens a window running an editor.
|
||||
# The command to invoke the editor is specified during DAMASK installation
|
||||
|
||||
%EDITOR% $*
|
||||
|
|
@ -0,0 +1,18 @@
|
|||
#!/bin/sh
|
||||
# This script opens a window running an editor. The default window is an
|
||||
# xterm, and the default editor is vi. These may be customized.
|
||||
|
||||
dir=
|
||||
for d in /usr/bin /usr/bin/X11; do
|
||||
if test -x "$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 $*
|
||||
|
|
@ -0,0 +1,8 @@
|
|||
#!/bin/sh
|
||||
|
||||
if [ "$1" = "" ]; then
|
||||
echo "usage: $0 job_name"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
echo STOP > $1.cnt
|
||||
|
|
@ -0,0 +1,8 @@
|
|||
#!/bin/sh
|
||||
|
||||
if [ "$1" = "" ]; then
|
||||
echo "usage: $0 job_name"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
echo STOP > $1.cnt
|
||||
|
|
@ -0,0 +1,8 @@
|
|||
#!/bin/sh
|
||||
|
||||
if [ "$1" = "" ]; then
|
||||
echo "usage: $0 job_name"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
echo STOP > $1.cnt
|
||||
|
|
@ -0,0 +1,8 @@
|
|||
#!/bin/sh
|
||||
|
||||
if [ "$1" = "" ]; then
|
||||
echo "usage: $0 job_name"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
echo STOP > $1.cnt
|
||||
|
|
@ -0,0 +1,186 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
# The exit status of this script is read by Mentat.
|
||||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=/nethome/storage/raid3/f.roters/Software/MSC/Marc2018-RH7.1/marc2018
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
fi
|
||||
|
||||
if test -z "$DIR"; then
|
||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||
DIRSCRIPT=`dirname $REALCOM`
|
||||
case $DIRSCRIPT in
|
||||
\/*)
|
||||
;;
|
||||
*)
|
||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||
;;
|
||||
esac
|
||||
. $DIRSCRIPT/getarch
|
||||
|
||||
DIR="$MENTAT_MARCDIR"
|
||||
fi
|
||||
|
||||
SRCEXT=.f
|
||||
SRCEXTC=.F
|
||||
RSTEXT=.t08
|
||||
PSTEXT=.t19
|
||||
PSTEXTB=.t16
|
||||
VWFCEXT=.vfs
|
||||
|
||||
slv=$1
|
||||
version=$2
|
||||
ndom_fea_solver=$3
|
||||
ndom_preprocessor=$4
|
||||
hostfile=$5
|
||||
compat=$6
|
||||
job=$7
|
||||
srcfile=$8
|
||||
srcmeth=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
restart=$1
|
||||
postfile=$2
|
||||
viewfactorsfile=$3
|
||||
autorst=$4
|
||||
copy_datfile="-ci $5"
|
||||
copy_postfile="-cr $6"
|
||||
scr_dir=$7
|
||||
dcoup=$8
|
||||
assem_recov_nthread=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
nthread=$1
|
||||
nsolver=$2
|
||||
mode=$3
|
||||
gpu=$4
|
||||
|
||||
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||
slv="-iam sfm"
|
||||
else
|
||||
slv=""
|
||||
fi
|
||||
|
||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||
nprocds="-nprocds $ndom_fea_solver"
|
||||
else
|
||||
nprocd=""
|
||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||
nprocd="-nprocd $ndom_preprocessor"
|
||||
else
|
||||
nprocd=""
|
||||
fi
|
||||
fi
|
||||
|
||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||
case "$srcmeth" in
|
||||
-)
|
||||
srcfile="-u $srcfile"
|
||||
;;
|
||||
compsave)
|
||||
srcfile="-u $srcfile -save y"
|
||||
;;
|
||||
runsaved)
|
||||
srcfile="-prog $srcfile"
|
||||
;;
|
||||
esac
|
||||
else
|
||||
srcfile=""
|
||||
fi
|
||||
|
||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||
restart="-r $restart"
|
||||
else
|
||||
restart=""
|
||||
fi
|
||||
|
||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||
postfile="-pid $postfile"
|
||||
else
|
||||
postfile=""
|
||||
fi
|
||||
|
||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||
viewfactorsfile="-vf $viewfactorsfile"
|
||||
else
|
||||
viewfactorsfile=""
|
||||
fi
|
||||
|
||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||
hostfile="-ho $hostfile"
|
||||
else
|
||||
hostfile=""
|
||||
fi
|
||||
|
||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||
compat="-co $compat"
|
||||
else
|
||||
compat=""
|
||||
fi
|
||||
|
||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||
scr_dir="-sd $scr_dir"
|
||||
else
|
||||
scr_dir=""
|
||||
fi
|
||||
|
||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||
dcoup="-dcoup $dcoup"
|
||||
else
|
||||
dcoup=""
|
||||
fi
|
||||
|
||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||
else
|
||||
assem_recov_nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||
nthread="-nthread $nthread"
|
||||
else
|
||||
nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||
nsolver="-nsolver $nsolver"
|
||||
else
|
||||
nsolver=""
|
||||
fi
|
||||
|
||||
case "$mode" in
|
||||
4) mode="-mo i4" ;;
|
||||
8) mode="-mo i8" ;;
|
||||
*) mode= ;;
|
||||
esac
|
||||
|
||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||
gpu="-gpu $gpu"
|
||||
else
|
||||
gpu=""
|
||||
fi
|
||||
|
||||
rm -f $job.cnt
|
||||
rm -f $job.sts
|
||||
rm -f $job.out
|
||||
rm -f $job.log
|
||||
|
||||
# To prevent a mismatch with the python version used by the solver
|
||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||
unset PYTHONHOME
|
||||
unset PYTHONPATH
|
||||
|
||||
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||
sleep 1
|
||||
exit 0
|
||||
|
|
@ -0,0 +1,187 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
# The exit status of this script is read by Mentat.
|
||||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=%INSTALLDIR%/marc%VERSION%
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
fi
|
||||
|
||||
if test -z "$DIR"; then
|
||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||
DIRSCRIPT=`dirname $REALCOM`
|
||||
case $DIRSCRIPT in
|
||||
\/*)
|
||||
;;
|
||||
*)
|
||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||
;;
|
||||
esac
|
||||
. $DIRSCRIPT/getarch
|
||||
|
||||
DIR="$MENTAT_MARCDIR"
|
||||
fi
|
||||
|
||||
SRCEXT=.f
|
||||
SRCEXTC=.F
|
||||
RSTEXT=.t08
|
||||
PSTEXT=.t19
|
||||
PSTEXTB=.t16
|
||||
VWFCEXT=.vfs
|
||||
|
||||
slv=$1
|
||||
version=$2
|
||||
ndom_fea_solver=$3
|
||||
ndom_preprocessor=$4
|
||||
hostfile=$5
|
||||
compat=$6
|
||||
job=$7
|
||||
srcfile=$8
|
||||
srcmeth=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
restart=$1
|
||||
postfile=$2
|
||||
viewfactorsfile=$3
|
||||
autorst=$4
|
||||
copy_datfile="-ci $5"
|
||||
copy_postfile="-cr $6"
|
||||
scr_dir=$7
|
||||
dcoup=$8
|
||||
assem_recov_nthread=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
nthread=$1
|
||||
nsolver=$2
|
||||
mode=$3
|
||||
gpu=$4
|
||||
|
||||
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||
slv="-iam sfm"
|
||||
else
|
||||
slv=""
|
||||
fi
|
||||
|
||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||
nprocds="-nprocds $ndom_fea_solver"
|
||||
else
|
||||
nprocd=""
|
||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||
nprocd="-nprocd $ndom_preprocessor"
|
||||
else
|
||||
nprocd=""
|
||||
fi
|
||||
fi
|
||||
|
||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||
case "$srcmeth" in
|
||||
-)
|
||||
srcfile="-u $srcfile"
|
||||
;;
|
||||
compsave)
|
||||
srcfile="-u $srcfile -save y"
|
||||
;;
|
||||
runsaved)
|
||||
srcfile=${srcfile%.*}".marc"
|
||||
srcfile="-prog $srcfile"
|
||||
;;
|
||||
esac
|
||||
else
|
||||
srcfile=""
|
||||
fi
|
||||
|
||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||
restart="-r $restart"
|
||||
else
|
||||
restart=""
|
||||
fi
|
||||
|
||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||
postfile="-pid $postfile"
|
||||
else
|
||||
postfile=""
|
||||
fi
|
||||
|
||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||
viewfactorsfile="-vf $viewfactorsfile"
|
||||
else
|
||||
viewfactorsfile=""
|
||||
fi
|
||||
|
||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||
hostfile="-ho $hostfile"
|
||||
else
|
||||
hostfile=""
|
||||
fi
|
||||
|
||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||
compat="-co $compat"
|
||||
else
|
||||
compat=""
|
||||
fi
|
||||
|
||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||
scr_dir="-sd $scr_dir"
|
||||
else
|
||||
scr_dir=""
|
||||
fi
|
||||
|
||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||
dcoup="-dcoup $dcoup"
|
||||
else
|
||||
dcoup=""
|
||||
fi
|
||||
|
||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||
else
|
||||
assem_recov_nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||
nthread="-nthread $nthread"
|
||||
else
|
||||
nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||
nsolver="-nsolver $nsolver"
|
||||
else
|
||||
nsolver=""
|
||||
fi
|
||||
|
||||
case "$mode" in
|
||||
4) mode="-mo i4" ;;
|
||||
8) mode="-mo i8" ;;
|
||||
*) mode= ;;
|
||||
esac
|
||||
|
||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||
gpu="-gpu $gpu"
|
||||
else
|
||||
gpu=""
|
||||
fi
|
||||
|
||||
rm -f $job.cnt
|
||||
rm -f $job.sts
|
||||
rm -f $job.out
|
||||
rm -f $job.log
|
||||
|
||||
# To prevent a mismatch with the python version used by the solver
|
||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||
unset PYTHONHOME
|
||||
unset PYTHONPATH
|
||||
|
||||
"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||
sleep 1
|
||||
exit 0
|
||||
|
|
@ -0,0 +1,187 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
# The exit status of this script is read by Mentat.
|
||||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=%INSTALLDIR%/marc%VERSION%
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
fi
|
||||
|
||||
if test -z "$DIR"; then
|
||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||
DIRSCRIPT=`dirname $REALCOM`
|
||||
case $DIRSCRIPT in
|
||||
\/*)
|
||||
;;
|
||||
*)
|
||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||
;;
|
||||
esac
|
||||
. $DIRSCRIPT/getarch
|
||||
|
||||
DIR="$MENTAT_MARCDIR"
|
||||
fi
|
||||
|
||||
SRCEXT=.f
|
||||
SRCEXTC=.F
|
||||
RSTEXT=.t08
|
||||
PSTEXT=.t19
|
||||
PSTEXTB=.t16
|
||||
VWFCEXT=.vfs
|
||||
|
||||
slv=$1
|
||||
version=$2
|
||||
ndom_fea_solver=$3
|
||||
ndom_preprocessor=$4
|
||||
hostfile=$5
|
||||
compat=$6
|
||||
job=$7
|
||||
srcfile=$8
|
||||
srcmeth=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
restart=$1
|
||||
postfile=$2
|
||||
viewfactorsfile=$3
|
||||
autorst=$4
|
||||
copy_datfile="-ci $5"
|
||||
copy_postfile="-cr $6"
|
||||
scr_dir=$7
|
||||
dcoup=$8
|
||||
assem_recov_nthread=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
nthread=$1
|
||||
nsolver=$2
|
||||
mode=$3
|
||||
gpu=$4
|
||||
|
||||
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||
slv="-iam sfm"
|
||||
else
|
||||
slv=""
|
||||
fi
|
||||
|
||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||
nprocds="-nprocds $ndom_fea_solver"
|
||||
else
|
||||
nprocd=""
|
||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||
nprocd="-nprocd $ndom_preprocessor"
|
||||
else
|
||||
nprocd=""
|
||||
fi
|
||||
fi
|
||||
|
||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||
case "$srcmeth" in
|
||||
-)
|
||||
srcfile="-u $srcfile"
|
||||
;;
|
||||
compsave)
|
||||
srcfile="-u $srcfile -save y"
|
||||
;;
|
||||
runsaved)
|
||||
srcfile=${srcfile%.*}".marc"
|
||||
srcfile="-prog $srcfile"
|
||||
;;
|
||||
esac
|
||||
else
|
||||
srcfile=""
|
||||
fi
|
||||
|
||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||
restart="-r $restart"
|
||||
else
|
||||
restart=""
|
||||
fi
|
||||
|
||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||
postfile="-pid $postfile"
|
||||
else
|
||||
postfile=""
|
||||
fi
|
||||
|
||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||
viewfactorsfile="-vf $viewfactorsfile"
|
||||
else
|
||||
viewfactorsfile=""
|
||||
fi
|
||||
|
||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||
hostfile="-ho $hostfile"
|
||||
else
|
||||
hostfile=""
|
||||
fi
|
||||
|
||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||
compat="-co $compat"
|
||||
else
|
||||
compat=""
|
||||
fi
|
||||
|
||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||
scr_dir="-sd $scr_dir"
|
||||
else
|
||||
scr_dir=""
|
||||
fi
|
||||
|
||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||
dcoup="-dcoup $dcoup"
|
||||
else
|
||||
dcoup=""
|
||||
fi
|
||||
|
||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||
else
|
||||
assem_recov_nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||
nthread="-nthread $nthread"
|
||||
else
|
||||
nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||
nsolver="-nsolver $nsolver"
|
||||
else
|
||||
nsolver=""
|
||||
fi
|
||||
|
||||
case "$mode" in
|
||||
4) mode="-mo i4" ;;
|
||||
8) mode="-mo i8" ;;
|
||||
*) mode= ;;
|
||||
esac
|
||||
|
||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||
gpu="-gpu $gpu"
|
||||
else
|
||||
gpu=""
|
||||
fi
|
||||
|
||||
rm -f $job.cnt
|
||||
rm -f $job.sts
|
||||
rm -f $job.out
|
||||
rm -f $job.log
|
||||
|
||||
# To prevent a mismatch with the python version used by the solver
|
||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||
unset PYTHONHOME
|
||||
unset PYTHONPATH
|
||||
|
||||
"${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||
sleep 1
|
||||
exit 0
|
||||
|
|
@ -0,0 +1,187 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
# The exit status of this script is read by Mentat.
|
||||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=%INSTALLDIR%/marc%VERSION%
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
fi
|
||||
|
||||
if test -z "$DIR"; then
|
||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||
DIRSCRIPT=`dirname $REALCOM`
|
||||
case $DIRSCRIPT in
|
||||
\/*)
|
||||
;;
|
||||
*)
|
||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||
;;
|
||||
esac
|
||||
. $DIRSCRIPT/getarch
|
||||
|
||||
DIR="$MENTAT_MARCDIR"
|
||||
fi
|
||||
|
||||
SRCEXT=.f
|
||||
SRCEXTC=.F
|
||||
RSTEXT=.t08
|
||||
PSTEXT=.t19
|
||||
PSTEXTB=.t16
|
||||
VWFCEXT=.vfs
|
||||
|
||||
slv=$1
|
||||
version=$2
|
||||
ndom_fea_solver=$3
|
||||
ndom_preprocessor=$4
|
||||
hostfile=$5
|
||||
compat=$6
|
||||
job=$7
|
||||
srcfile=$8
|
||||
srcmeth=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
restart=$1
|
||||
postfile=$2
|
||||
viewfactorsfile=$3
|
||||
autorst=$4
|
||||
copy_datfile="-ci $5"
|
||||
copy_postfile="-cr $6"
|
||||
scr_dir=$7
|
||||
dcoup=$8
|
||||
assem_recov_nthread=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
nthread=$1
|
||||
nsolver=$2
|
||||
mode=$3
|
||||
gpu=$4
|
||||
|
||||
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||
slv="-iam sfm"
|
||||
else
|
||||
slv=""
|
||||
fi
|
||||
|
||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||
nprocds="-nprocds $ndom_fea_solver"
|
||||
else
|
||||
nprocd=""
|
||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||
nprocd="-nprocd $ndom_preprocessor"
|
||||
else
|
||||
nprocd=""
|
||||
fi
|
||||
fi
|
||||
|
||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||
case "$srcmeth" in
|
||||
-)
|
||||
srcfile="-u $srcfile"
|
||||
;;
|
||||
compsave)
|
||||
srcfile="-u $srcfile -save y"
|
||||
;;
|
||||
runsaved)
|
||||
srcfile=${srcfile%.*}".marc"
|
||||
srcfile="-prog $srcfile"
|
||||
;;
|
||||
esac
|
||||
else
|
||||
srcfile=""
|
||||
fi
|
||||
|
||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||
restart="-r $restart"
|
||||
else
|
||||
restart=""
|
||||
fi
|
||||
|
||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||
postfile="-pid $postfile"
|
||||
else
|
||||
postfile=""
|
||||
fi
|
||||
|
||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||
viewfactorsfile="-vf $viewfactorsfile"
|
||||
else
|
||||
viewfactorsfile=""
|
||||
fi
|
||||
|
||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||
hostfile="-ho $hostfile"
|
||||
else
|
||||
hostfile=""
|
||||
fi
|
||||
|
||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||
compat="-co $compat"
|
||||
else
|
||||
compat=""
|
||||
fi
|
||||
|
||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||
scr_dir="-sd $scr_dir"
|
||||
else
|
||||
scr_dir=""
|
||||
fi
|
||||
|
||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||
dcoup="-dcoup $dcoup"
|
||||
else
|
||||
dcoup=""
|
||||
fi
|
||||
|
||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||
else
|
||||
assem_recov_nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||
nthread="-nthread $nthread"
|
||||
else
|
||||
nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||
nsolver="-nsolver $nsolver"
|
||||
else
|
||||
nsolver=""
|
||||
fi
|
||||
|
||||
case "$mode" in
|
||||
4) mode="-mo i4" ;;
|
||||
8) mode="-mo i8" ;;
|
||||
*) mode= ;;
|
||||
esac
|
||||
|
||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||
gpu="-gpu $gpu"
|
||||
else
|
||||
gpu=""
|
||||
fi
|
||||
|
||||
rm -f $job.cnt
|
||||
rm -f $job.sts
|
||||
rm -f $job.out
|
||||
rm -f $job.log
|
||||
|
||||
# To prevent a mismatch with the python version used by the solver
|
||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||
unset PYTHONHOME
|
||||
unset PYTHONPATH
|
||||
|
||||
"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||
sleep 1
|
||||
exit 0
|
||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
|
@ -1,8 +1,8 @@
|
|||
#! /usr/bin/env bash
|
||||
if [ $1x != 3to2x ]; then
|
||||
echo 'python2.7 to python'
|
||||
find . -name '*.py' | xargs sed -i 's/usr\/bin\/env python2.7/usr\/bin\/env python/g'
|
||||
find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python2.7/usr\/bin\/env python/g'
|
||||
else
|
||||
echo 'python to python2.7'
|
||||
find . -name '*.py' | xargs sed -i 's/usr\/bin\/env python/usr\/bin\/env python2.7/g'
|
||||
find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python/usr\/bin\/env python2.7/g'
|
||||
fi
|
||||
|
|
|
|||
|
|
@ -1,14 +1,14 @@
|
|||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,sys
|
||||
import os, sys
|
||||
import numpy as np
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
# python 3 has no unicode object, this ensures that the code works on Python 2&3
|
||||
try:
|
||||
test=isinstance('test', unicode)
|
||||
except(NameError):
|
||||
unicode=str
|
||||
test = isinstance('test', unicode)
|
||||
except NameError:
|
||||
unicode = str
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
class ASCIItable():
|
||||
|
|
@ -63,16 +63,17 @@ class ASCIItable():
|
|||
x):
|
||||
try:
|
||||
return float(x)
|
||||
except:
|
||||
except ValueError:
|
||||
return 0.0
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
def _removeCRLF(self,
|
||||
string):
|
||||
string):
|
||||
"""Delete any carriage return and line feed from string"""
|
||||
try:
|
||||
return string.replace('\n','').replace('\r','')
|
||||
except:
|
||||
return string
|
||||
except AttributeError:
|
||||
return str(string)
|
||||
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
|
|
@ -93,22 +94,22 @@ class ASCIItable():
|
|||
|
||||
# ------------------------------------------------------------------
|
||||
def input_close(self):
|
||||
try:
|
||||
# try:
|
||||
if self.__IO__['in'] != sys.stdin: self.__IO__['in'].close()
|
||||
except:
|
||||
pass
|
||||
# except:
|
||||
# pass
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
def output_write(self,
|
||||
what):
|
||||
"""Aggregate a single row (string) or list of (possibly containing further lists of) rows into output"""
|
||||
if not isinstance(what, (str, unicode)):
|
||||
if isinstance(what, (str, unicode)):
|
||||
self.__IO__['output'] += [what]
|
||||
else:
|
||||
try:
|
||||
for item in what: self.output_write(item)
|
||||
except:
|
||||
except TypeError:
|
||||
self.__IO__['output'] += [str(what)]
|
||||
else:
|
||||
self.__IO__['output'] += [what]
|
||||
|
||||
return self.__IO__['buffered'] or self.output_flush()
|
||||
|
||||
|
|
@ -129,10 +130,10 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def output_close(self,
|
||||
dismiss = False):
|
||||
try:
|
||||
if self.__IO__['out'] != sys.stdout: self.__IO__['out'].close()
|
||||
except:
|
||||
pass
|
||||
# try:
|
||||
if self.__IO__['out'] != sys.stdout: self.__IO__['out'].close()
|
||||
# except:
|
||||
# pass
|
||||
if dismiss and os.path.isfile(self.__IO__['out'].name):
|
||||
os.remove(self.__IO__['out'].name)
|
||||
elif self.__IO__['inPlace']:
|
||||
|
|
@ -150,7 +151,7 @@ class ASCIItable():
|
|||
|
||||
try:
|
||||
self.__IO__['in'].seek(0)
|
||||
except:
|
||||
except IOError:
|
||||
pass
|
||||
|
||||
firstline = self.__IO__['in'].readline().strip()
|
||||
|
|
@ -170,7 +171,7 @@ class ASCIItable():
|
|||
else: # other table format
|
||||
try:
|
||||
self.__IO__['in'].seek(0) # try to rewind
|
||||
except:
|
||||
except IOError:
|
||||
self.__IO__['readBuffer'] = [firstline] # or at least save data in buffer
|
||||
|
||||
while self.data_read(advance = False, respectLabels = False):
|
||||
|
|
@ -197,7 +198,9 @@ class ASCIItable():
|
|||
"""Write current header information (info + labels)"""
|
||||
head = ['{}\theader'.format(len(self.info)+self.__IO__['labeled'])] if header else []
|
||||
head.append(self.info)
|
||||
if self.__IO__['labeled']: head.append('\t'.join(map(self._quote,self.tags)))
|
||||
if self.__IO__['labeled']:
|
||||
head.append('\t'.join(map(self._quote,self.tags)))
|
||||
if len(self.tags) == 0: raise ValueError('no labels present.')
|
||||
|
||||
return self.output_write(head)
|
||||
|
||||
|
|
@ -257,13 +260,13 @@ class ASCIItable():
|
|||
what,
|
||||
reset = False):
|
||||
"""Add item or list to existing set of labels (and switch on labeling)"""
|
||||
if not isinstance(what, (str, unicode)):
|
||||
if isinstance(what, (str, unicode)):
|
||||
self.tags += [self._removeCRLF(what)]
|
||||
else:
|
||||
try:
|
||||
for item in what: self.labels_append(item)
|
||||
except:
|
||||
except TypeError:
|
||||
self.tags += [self._removeCRLF(str(what))]
|
||||
else:
|
||||
self.tags += [self._removeCRLF(what)]
|
||||
|
||||
self.__IO__['labeled'] = True # switch on processing (in particular writing) of tags
|
||||
if reset: self.__IO__['tags'] = list(self.tags) # subsequent data_read uses current tags as data size
|
||||
|
|
@ -410,13 +413,13 @@ class ASCIItable():
|
|||
def info_append(self,
|
||||
what):
|
||||
"""Add item or list to existing set of infos"""
|
||||
if not isinstance(what, (str, unicode)):
|
||||
if isinstance(what, (str, unicode)):
|
||||
self.info += [self._removeCRLF(what)]
|
||||
else:
|
||||
try:
|
||||
for item in what: self.info_append(item)
|
||||
except:
|
||||
except TypeError:
|
||||
self.info += [self._removeCRLF(str(what))]
|
||||
else:
|
||||
self.info += [self._removeCRLF(what)]
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
def info_clear(self):
|
||||
|
|
@ -468,10 +471,8 @@ class ASCIItable():
|
|||
"""Read whole data of all (given) labels as numpy array"""
|
||||
from collections import Iterable
|
||||
|
||||
try:
|
||||
self.data_rewind() # try to wind back to start of data
|
||||
except:
|
||||
pass # assume/hope we are at data start already...
|
||||
try: self.data_rewind() # try to wind back to start of data
|
||||
except: pass # assume/hope we are at data start already...
|
||||
|
||||
if labels is None or labels == []:
|
||||
use = None # use all columns (and keep labels intact)
|
||||
|
|
@ -530,13 +531,13 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def data_append(self,
|
||||
what):
|
||||
if not isinstance(what, (str, unicode)):
|
||||
if isinstance(what, (str, unicode)):
|
||||
self.data += [what]
|
||||
else:
|
||||
try:
|
||||
for item in what: self.data_append(item)
|
||||
except:
|
||||
except TypeError:
|
||||
self.data += [str(what)]
|
||||
else:
|
||||
self.data += [what]
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
def data_set(self,
|
||||
|
|
@ -581,7 +582,7 @@ class ASCIItable():
|
|||
if len(items) > 2:
|
||||
if items[1].lower() == 'of':
|
||||
items = np.ones(datatype(items[0]))*datatype(items[2])
|
||||
elif items[1].lower() == 'to':
|
||||
elif items[1].lower() == 'to':
|
||||
items = np.linspace(datatype(items[0]),datatype(items[2]),
|
||||
abs(datatype(items[2])-datatype(items[0]))+1,dtype=int)
|
||||
else: items = list(map(datatype,items))
|
||||
|
|
|
|||
|
|
@ -65,7 +65,7 @@ if np.any(np.array(options.size) <= 0.0):
|
|||
if filename == []: filename = [None]
|
||||
|
||||
table = damask.ASCIItable(outname = filename[0],
|
||||
buffered = False)
|
||||
buffered = False, labeled=False)
|
||||
|
||||
damask.util.report(scriptName,filename[0])
|
||||
|
||||
|
|
|
|||
|
|
@ -17,8 +17,12 @@ list(APPEND OBJECTFILES $<TARGET_OBJECTS:SYSTEM_ROUTINES>)
|
|||
add_library(PREC OBJECT "prec.f90")
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:PREC>)
|
||||
|
||||
add_library(QUIT OBJECT "quit.f90")
|
||||
add_dependencies(QUIT PREC)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:QUIT>)
|
||||
|
||||
add_library(DAMASK_INTERFACE OBJECT "DAMASK_interface.f90")
|
||||
add_dependencies(DAMASK_INTERFACE PREC SYSTEM_ROUTINES)
|
||||
add_dependencies(DAMASK_INTERFACE QUIT SYSTEM_ROUTINES)
|
||||
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_INTERFACE>)
|
||||
|
||||
add_library(IO OBJECT "IO.f90")
|
||||
|
|
|
|||
|
|
@ -98,7 +98,7 @@ subroutine CPFEM_initAll(el,ip)
|
|||
call config_init
|
||||
call math_init
|
||||
call FE_init
|
||||
call mesh_init(ip, el) ! pass on coordinates to alter calcMode of first ip
|
||||
call mesh_init(ip, el)
|
||||
call lattice_init
|
||||
call material_init
|
||||
call constitutive_init
|
||||
|
|
@ -314,7 +314,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
|
|||
thermal_type, &
|
||||
THERMAL_conduction_ID, &
|
||||
phase_Nsources, &
|
||||
material_homog
|
||||
material_homogenizationAt
|
||||
use config, only: &
|
||||
material_Nhomogenization
|
||||
use crystallite, only: &
|
||||
|
|
@ -503,7 +503,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
|
|||
if (.not. parallelExecution) then
|
||||
chosenThermal1: select case (thermal_type(mesh_element(3,elCP)))
|
||||
case (THERMAL_conduction_ID) chosenThermal1
|
||||
temperature(material_homog(ip,elCP))%p(thermalMapping(material_homog(ip,elCP))%p(ip,elCP)) = &
|
||||
temperature(material_homogenizationAt(elCP))%p(thermalMapping(material_homogenizationAt(elCP))%p(ip,elCP)) = &
|
||||
temperature_inp
|
||||
end select chosenThermal1
|
||||
materialpoint_F0(1:3,1:3,ip,elCP) = ffn
|
||||
|
|
@ -516,7 +516,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
|
|||
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian * math_identity2nd(6)
|
||||
chosenThermal2: select case (thermal_type(mesh_element(3,elCP)))
|
||||
case (THERMAL_conduction_ID) chosenThermal2
|
||||
temperature(material_homog(ip,elCP))%p(thermalMapping(material_homog(ip,elCP))%p(ip,elCP)) = &
|
||||
temperature(material_homogenizationAt(elCP))%p(thermalMapping(material_homogenizationAt(elCP))%p(ip,elCP)) = &
|
||||
temperature_inp
|
||||
end select chosenThermal2
|
||||
materialpoint_F0(1:3,1:3,ip,elCP) = ffn
|
||||
|
|
|
|||
|
|
@ -18,7 +18,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief call (thread safe) all module initializations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_initAll(el,ip)
|
||||
subroutine CPFEM_initAll()
|
||||
use prec, only: &
|
||||
pInt
|
||||
use prec, only: &
|
||||
|
|
@ -55,10 +55,8 @@ subroutine CPFEM_initAll(el,ip)
|
|||
#endif
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: el, & !< FE el number
|
||||
ip !< FE integration point number
|
||||
|
||||
call DAMASK_interface_init ! Spectral and FEM interface to commandline
|
||||
call DAMASK_interface_init ! Spectral and FEM interface to commandline
|
||||
call prec_init
|
||||
call IO_init
|
||||
#ifdef FEM
|
||||
|
|
@ -69,7 +67,7 @@ subroutine CPFEM_initAll(el,ip)
|
|||
call config_init
|
||||
call math_init
|
||||
call FE_init
|
||||
call mesh_init(ip, el) ! pass on coordinates to alter calcMode of first ip
|
||||
call mesh_init
|
||||
call lattice_init
|
||||
call material_init
|
||||
call constitutive_init
|
||||
|
|
|
|||
|
|
@ -7,8 +7,13 @@
|
|||
!> results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
program DAMASK_FEM
|
||||
use, intrinsic :: &
|
||||
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
|
||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||
use, intrinsic :: iso_fortran_env, only: &
|
||||
compiler_version, &
|
||||
compiler_options
|
||||
#endif
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
use PetscDM
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal, &
|
||||
|
|
@ -18,9 +23,7 @@ program DAMASK_FEM
|
|||
loadCaseFile, &
|
||||
getSolverJobName
|
||||
use IO, only: &
|
||||
IO_read, &
|
||||
IO_isBlank, &
|
||||
IO_open_file, &
|
||||
IO_stringPos, &
|
||||
IO_stringValue, &
|
||||
IO_floatValue, &
|
||||
|
|
@ -29,12 +32,7 @@ program DAMASK_FEM
|
|||
IO_lc, &
|
||||
IO_intOut, &
|
||||
IO_warning, &
|
||||
IO_timeStamp, &
|
||||
IO_EOF
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_levelBasic
|
||||
IO_timeStamp
|
||||
use math ! need to include the whole module for FFTW
|
||||
use CPFEM2, only: &
|
||||
CPFEM_initAll
|
||||
|
|
@ -42,9 +40,9 @@ program DAMASK_FEM
|
|||
restartWrite, &
|
||||
restartInc
|
||||
use numerics, only: &
|
||||
worldrank, &
|
||||
maxCutBack, &
|
||||
stagItMax, &
|
||||
worldrank
|
||||
stagItMax
|
||||
use mesh, only: &
|
||||
mesh_Nboundaries, &
|
||||
mesh_boundaries, &
|
||||
|
|
@ -57,37 +55,17 @@ program DAMASK_FEM
|
|||
maxFields, &
|
||||
nActiveFields, &
|
||||
FIELD_MECH_ID, &
|
||||
FIELD_THERMAL_ID, &
|
||||
FIELD_DAMAGE_ID, &
|
||||
FIELD_SOLUTE_ID, &
|
||||
FIELD_MGTWIN_ID, &
|
||||
COMPONENT_MECH_X_ID, &
|
||||
COMPONENT_MECH_Y_ID, &
|
||||
COMPONENT_MECH_Z_ID, &
|
||||
COMPONENT_THERMAL_T_ID, &
|
||||
COMPONENT_DAMAGE_PHI_ID, &
|
||||
COMPONENT_SOLUTE_CV_ID, &
|
||||
COMPONENT_SOLUTE_CVPOT_ID, &
|
||||
COMPONENT_SOLUTE_CH_ID, &
|
||||
COMPONENT_SOLUTE_CHPOT_ID, &
|
||||
COMPONENT_SOLUTE_CVaH_ID, &
|
||||
COMPONENT_SOLUTE_CVaHPOT_ID, &
|
||||
COMPONENT_MGTWIN_PHI_ID, &
|
||||
FIELD_MECH_label, &
|
||||
FIELD_THERMAL_label, &
|
||||
FIELD_DAMAGE_label, &
|
||||
FIELD_SOLUTE_label, &
|
||||
FIELD_MGTWIN_label
|
||||
FIELD_MECH_label
|
||||
use FEM_mech
|
||||
|
||||
implicit none
|
||||
#include <petsc/finclude/petsc.h>
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables related to information from load case and geom file
|
||||
integer(pInt), parameter :: FILEUNIT = 234_pInt !< file unit, DAMASK IO does not support newunit feature
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos ! this is longer than needed for geometry parsing
|
||||
|
||||
integer(pInt) :: &
|
||||
N_def = 0_pInt !< # of rate of deformation specifiers found in load case file
|
||||
character(len=65536) :: &
|
||||
|
|
@ -95,7 +73,6 @@ program DAMASK_FEM
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop variables, convergence etc.
|
||||
|
||||
integer(pInt), parameter :: &
|
||||
subStepFactor = 2_pInt !< for each substep, divide the last time increment by 2.0
|
||||
real(pReal) :: &
|
||||
|
|
@ -105,7 +82,8 @@ program DAMASK_FEM
|
|||
timeIncOld = 0.0_pReal, & !< previous time interval
|
||||
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
|
||||
logical :: &
|
||||
guess !< guess along former trajectory
|
||||
guess, & !< guess along former trajectory
|
||||
stagIterate
|
||||
integer(pInt) :: &
|
||||
i, &
|
||||
errorID, &
|
||||
|
|
@ -115,18 +93,18 @@ program DAMASK_FEM
|
|||
currentLoadcase = 0_pInt, & !< current load case
|
||||
currentFace = 0_pInt, &
|
||||
inc, & !< current increment in current load case
|
||||
totalIncsCounter = 0_pInt, & !< total No. of increments
|
||||
convergedCounter = 0_pInt, & !< No. of converged increments
|
||||
notConvergedCounter = 0_pInt, & !< No. of non-converged increments
|
||||
totalIncsCounter = 0_pInt, & !< total # of increments
|
||||
convergedCounter = 0_pInt, & !< # of converged increments
|
||||
notConvergedCounter = 0_pInt, & !< # of non-converged increments
|
||||
fileUnit = 0_pInt, & !< file unit for reading load case and writing results
|
||||
myStat, &
|
||||
statUnit = 0_pInt, & !< file unit for statistics output
|
||||
lastRestartWritten = 0_pInt !< total increment No. at which last restart information was written
|
||||
integer(pInt) :: &
|
||||
lastRestartWritten = 0_pInt, & !< total increment No. at which last restart information was written
|
||||
stagIter, &
|
||||
component
|
||||
logical :: &
|
||||
stagIterate
|
||||
component
|
||||
character(len=6) :: loadcase_string
|
||||
character(len=1024) :: incInfo !< string parsed to solution with information about current load case
|
||||
character(len=1024) :: &
|
||||
incInfo
|
||||
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
|
||||
type(tSolutionState), allocatable, dimension(:) :: solres
|
||||
PetscInt :: faceSet, currentFaceSet
|
||||
|
|
@ -134,17 +112,13 @@ program DAMASK_FEM
|
|||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
MPI_abort, &
|
||||
DMGetDimension, &
|
||||
DMGetLabelSize, &
|
||||
DMGetLabelIdIS, &
|
||||
ISDestroy, &
|
||||
quit
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init DAMASK (all modules)
|
||||
call CPFEM_initAll(el = 1_pInt, ip = 1_pInt)
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
call CPFEM_initAll
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
! reading basic information from load case file and allocate data structure containing load cases
|
||||
|
|
@ -154,12 +128,13 @@ program DAMASK_FEM
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reading basic information from load case file and allocate data structure containing load cases
|
||||
call IO_open_file(FILEUNIT,trim(loadCaseFile))
|
||||
rewind(FILEUNIT)
|
||||
open(newunit=fileunit,iostat=myStat,file=trim(loadCaseFile),action='read')
|
||||
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=trim(loadCaseFile))
|
||||
do
|
||||
line = IO_read(FILEUNIT)
|
||||
if (trim(line) == IO_EOF) exit
|
||||
read(fileUnit, '(A)', iostat=myStat) line
|
||||
if ( myStat /= 0_pInt) exit
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
|
||||
chunkPos = IO_stringPos(line)
|
||||
do i = 1_pInt, chunkPos(1) ! reading compulsory parameters for loadcase
|
||||
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
|
||||
|
|
@ -183,6 +158,16 @@ program DAMASK_FEM
|
|||
case(FIELD_MECH_ID)
|
||||
loadCases(i)%fieldBC(field)%nComponents = dimPlex !< X, Y (, Z) displacements
|
||||
allocate(loadCases(i)%fieldBC(field)%componentBC(loadCases(i)%fieldBC(field)%nComponents))
|
||||
do component = 1, loadCases(i)%fieldBC(field)%nComponents
|
||||
select case (component)
|
||||
case (1)
|
||||
loadCases(i)%fieldBC(field)%componentBC(component)%ID = COMPONENT_MECH_X_ID
|
||||
case (2)
|
||||
loadCases(i)%fieldBC(field)%componentBC(component)%ID = COMPONENT_MECH_Y_ID
|
||||
case (3)
|
||||
loadCases(i)%fieldBC(field)%componentBC(component)%ID = COMPONENT_MECH_Z_ID
|
||||
end select
|
||||
enddo
|
||||
end select
|
||||
do component = 1, loadCases(i)%fieldBC(field)%nComponents
|
||||
allocate(loadCases(i)%fieldBC(field)%componentBC(component)%Value(mesh_Nboundaries), source = 0.0_pReal)
|
||||
|
|
@ -193,11 +178,12 @@ program DAMASK_FEM
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reading the load case and assign values to the allocated data structure
|
||||
rewind(FILEUNIT)
|
||||
rewind(fileUnit)
|
||||
do
|
||||
line = IO_read(FILEUNIT)
|
||||
if (trim(line) == IO_EOF) exit
|
||||
read(fileUnit, '(A)', iostat=myStat) line
|
||||
if ( myStat /= 0_pInt) exit
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
|
||||
chunkPos = IO_stringPos(line)
|
||||
do i = 1_pInt, chunkPos(1)
|
||||
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
|
||||
|
|
@ -268,134 +254,15 @@ program DAMASK_FEM
|
|||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('temp','temperature') ! thermal field
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_THERMAL_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_THERMAL_T_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('mgtwin') ! mgtwin field
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MGTWIN_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MGTWIN_PHI_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('damage')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_DAMAGE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_DAMAGE_PHI_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('cv')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CV_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('cvpot')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVPOT_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('ch')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CH_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('chpot')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CHPOT_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('cvah')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVaH_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('cvahpot')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVaHPOT_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
|
||||
end select
|
||||
enddo; enddo
|
||||
close(FILEUNIT)
|
||||
close(fileUnit)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! consistency checks and output of load case
|
||||
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
|
||||
errorID = 0_pInt
|
||||
if (worldrank == 0) then
|
||||
checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
write (loadcase_string, '(i6)' ) currentLoadCase
|
||||
write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
|
||||
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
|
||||
|
|
@ -405,18 +272,6 @@ program DAMASK_FEM
|
|||
case(FIELD_MECH_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_MECH_label)
|
||||
|
||||
case(FIELD_THERMAL_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_THERMAL_label)
|
||||
|
||||
case(FIELD_DAMAGE_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_DAMAGE_label)
|
||||
|
||||
case(FIELD_MGTWIN_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_MGTWIN_label)
|
||||
|
||||
case(FIELD_SOLUTE_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_SOLUTE_label)
|
||||
|
||||
end select
|
||||
do faceSet = 1_pInt, mesh_Nboundaries
|
||||
do component = 1_pInt, loadCases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
|
|
@ -437,11 +292,10 @@ program DAMASK_FEM
|
|||
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
|
||||
loadCases(currentLoadCase)%restartfrequency
|
||||
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
|
||||
enddo checkLoadcases
|
||||
endif
|
||||
enddo checkLoadcases
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing initialization depending on selected solver
|
||||
! doing initialization depending on active solvers
|
||||
call Utilities_init()
|
||||
do field = 1, nActiveFields
|
||||
select case (loadCases(1)%fieldBC(field)%ID)
|
||||
|
|
@ -450,56 +304,49 @@ program DAMASK_FEM
|
|||
end select
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loopping over loadcases
|
||||
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
time0 = time ! currentLoadCase start time
|
||||
if (loadCases(currentLoadCase)%followFormerTrajectory) then
|
||||
guess = .true.
|
||||
else
|
||||
guess = .false. ! change of load case, homogeneous guess for the first inc
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop oper incs defined in input file for current currentLoadCase
|
||||
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
time0 = time ! load case start time
|
||||
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
|
||||
|
||||
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
|
||||
totalIncsCounter = totalIncsCounter + 1_pInt
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forwarding time
|
||||
timeIncOld = timeinc
|
||||
timeIncOld = timeinc ! last timeinc that brought former inc to an end
|
||||
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
|
||||
timeinc = loadCases(currentLoadCase)%time/loadCases(currentLoadCase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
|
||||
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
|
||||
else
|
||||
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
|
||||
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
|
||||
if (currentLoadCase == 1_pInt) then ! 1st load case of logarithmic scale
|
||||
if (inc == 1_pInt) then ! 1st inc of 1st load case of logarithmic scale
|
||||
timeinc = loadCases(1)%time*(2.0_pReal**real( 1_pInt-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
|
||||
else ! not-1st inc of 1st currentLoadCase of logarithmic scale
|
||||
else ! not-1st inc of 1st load case of logarithmic scale
|
||||
timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
|
||||
endif
|
||||
else ! not-1st currentLoadCase of logarithmic scale
|
||||
else ! not-1st load case of logarithmic scale
|
||||
timeinc = time0 * &
|
||||
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1_pInt ,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||
endif
|
||||
endif
|
||||
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
|
||||
forwarding: if(totalIncsCounter >= restartInc) then
|
||||
stepFraction = 0_pInt
|
||||
skipping: if (totalIncsCounter <= restartInc) then ! not yet at restart inc?
|
||||
time = time + timeinc ! just advance time, skip already performed calculation
|
||||
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
|
||||
else skipping
|
||||
stepFraction = 0_pInt ! fraction scaled by stepFactor**cutLevel
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop over sub incs
|
||||
subIncLooping: do while (stepFraction/subStepFactor**cutBackLevel <1_pInt)
|
||||
time = time + timeinc ! forward time
|
||||
stepFraction = stepFraction + 1_pInt
|
||||
remainingLoadCaseTime = time0 - time + loadCases(currentLoadCase)%time + timeInc
|
||||
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
|
||||
remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
|
||||
time = time + timeinc ! forward target time
|
||||
stepFraction = stepFraction + 1_pInt ! count step
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new increment
|
||||
if (worldrank == 0) then
|
||||
! report begin of new step
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
write(6,'(1x,a,es12.5'//&
|
||||
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||
|
|
@ -509,12 +356,14 @@ program DAMASK_FEM
|
|||
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
|
||||
'-', stepFraction, '/', subStepFactor**cutBackLevel,&
|
||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||
flush(6)
|
||||
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//&
|
||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
||||
write(incInfo,&
|
||||
'(a,'//IO_intOut(totalIncsCounter)//&
|
||||
',a,'//IO_intOut(sum(loadCases%incs))//&
|
||||
',a,'//IO_intOut(stepFraction)//&
|
||||
',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
||||
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
|
||||
'-',stepFraction, '/', subStepFactor**cutBackLevel
|
||||
endif
|
||||
flush(6)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forward fields
|
||||
|
|
@ -539,12 +388,14 @@ program DAMASK_FEM
|
|||
incInfo,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
|
||||
|
||||
end select
|
||||
|
||||
if(.not. solres(field)%converged) exit ! no solution found
|
||||
|
||||
enddo
|
||||
stagIter = stagIter + 1_pInt
|
||||
stagIterate = stagIter < stagItMax .and. &
|
||||
all(solres(:)%converged) .and. &
|
||||
.not. all(solres(:)%stagConverged)
|
||||
stagIterate = stagIter < stagItMax &
|
||||
.and. all(solres(:)%converged) &
|
||||
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
|
||||
enddo
|
||||
|
||||
! check solution
|
||||
|
|
@ -570,85 +421,49 @@ program DAMASK_FEM
|
|||
if (worldrank == 0) write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
|
||||
solres%converged, solres%iterationsNeeded ! write statistics about accepted solution
|
||||
endif
|
||||
enddo subIncLooping
|
||||
enddo subStepLooping
|
||||
|
||||
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
|
||||
if(all(solres(:)%converged)) then ! report converged inc
|
||||
|
||||
if (all(solres(:)%converged)) then
|
||||
convergedCounter = convergedCounter + 1_pInt
|
||||
if (worldrank == 0) then
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &
|
||||
' increment ', totalIncsCounter, ' converged'
|
||||
endif
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc
|
||||
' increment ', totalIncsCounter, ' converged'
|
||||
else
|
||||
if (worldrank == 0) then
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
|
||||
' increment ', totalIncsCounter, ' NOT converged'
|
||||
endif
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
|
||||
' increment ', totalIncsCounter, ' NOT converged'
|
||||
endif; flush(6)
|
||||
|
||||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||
if (worldrank == 0) then
|
||||
write(6,'(1/,a)') ' ... writing results to file ......................................'
|
||||
endif
|
||||
write(6,'(1/,a)') ' ToDo: ... writing results to file ......................................'
|
||||
endif
|
||||
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
|
||||
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ToDo first call to CPFEM_general will write?
|
||||
restartWrite = .true.
|
||||
lastRestartWritten = inc
|
||||
endif
|
||||
else forwarding
|
||||
time = time + timeinc
|
||||
guess = .true.
|
||||
endif forwarding
|
||||
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
|
||||
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
|
||||
restartWrite = .true. ! set restart parameter for FEsolving
|
||||
lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
|
||||
endif
|
||||
|
||||
endif skipping
|
||||
|
||||
enddo incLooping
|
||||
|
||||
enddo loadCaseLooping
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report summary of whole calculation
|
||||
if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
endif
|
||||
if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
|
||||
call quit(0_pInt) ! no complains ;)
|
||||
write(6,'(1x,'//IO_intOut(convergedCounter)//',a,'//IO_intOut(notConvergedCounter + convergedCounter)//',a,f5.1,a)') &
|
||||
convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, ' %) increments converged!'
|
||||
flush(6)
|
||||
call MPI_file_close(fileUnit,ierr)
|
||||
close(statUnit)
|
||||
|
||||
end program DAMASK_FEM
|
||||
if (notConvergedCounter > 0_pInt) call quit(2_pInt) ! error if some are not converged
|
||||
call quit(0_pInt) ! no complains ;)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief quit subroutine to mimic behavior of FEM solvers
|
||||
!> @details exits the Spectral solver and reports time and duration. Exit code 0 signals
|
||||
!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code
|
||||
!> 2 signals request for regridding, increment of last saved restart information is written to
|
||||
!> stderr. Exit code 3 signals no severe problems, but some increments did not converge
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine quit(stop_id)
|
||||
use prec, only: &
|
||||
pInt
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: stop_id
|
||||
integer, dimension(8) :: dateAndTime ! type default integer
|
||||
|
||||
call date_and_time(values = dateAndTime)
|
||||
write(6,'(/,a)') 'DAMASK terminated on:'
|
||||
write(6,'(a,2(i2.2,a),i4.4)') 'Date: ',dateAndTime(3),'/',&
|
||||
dateAndTime(2),'/',&
|
||||
dateAndTime(1)
|
||||
write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',&
|
||||
dateAndTime(6),':',&
|
||||
dateAndTime(7)
|
||||
if (stop_id == 0_pInt) stop 0 ! normal termination
|
||||
if (stop_id < 0_pInt) then ! trigger regridding
|
||||
write(0,'(a,i6)') 'restart information available at ', stop_id*(-1_pInt)
|
||||
stop 2
|
||||
endif
|
||||
if (stop_id == 3_pInt) stop 3 ! not all incs converged
|
||||
stop 1 ! error (message from IO_error)
|
||||
|
||||
end subroutine quit
|
||||
end program DAMASK_FEM
|
||||
|
|
|
|||
|
|
@ -43,24 +43,23 @@ subroutine DAMASK_interface_init()
|
|||
use, intrinsic :: &
|
||||
iso_fortran_env
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR!=9
|
||||
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR!=10
|
||||
===================================================================================================
|
||||
3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x
|
||||
3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x
|
||||
===================================================================================================
|
||||
======= THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ===========================================
|
||||
========== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ========================================
|
||||
============= THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x =====================================
|
||||
================ THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ==================================
|
||||
=================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ===============================
|
||||
====================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ============================
|
||||
========================= THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x =========================
|
||||
============================ THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ======================
|
||||
=============================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ===================
|
||||
================================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ================
|
||||
===================================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x =============
|
||||
======================================== THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x ==========
|
||||
======= THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x ==========================================
|
||||
========== THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x =======================================
|
||||
============= THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x ====================================
|
||||
================ THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x =================================
|
||||
=================== THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x ==============================
|
||||
====================== THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x ===========================
|
||||
========================= THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x ========================
|
||||
============================ THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x =====================
|
||||
=============================== THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x ==================
|
||||
================================== THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x ===============
|
||||
===================================== THIS VERSION OF DAMASK REQUIRES PETSc 3.10.x ============
|
||||
===================================================================================================
|
||||
3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x 3.9.x
|
||||
3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x 3.10.x
|
||||
===================================================================================================
|
||||
#endif
|
||||
use PETScSys
|
||||
|
|
@ -88,9 +87,7 @@ subroutine DAMASK_interface_init()
|
|||
dateAndTime ! type default integer
|
||||
PetscErrorCode :: ierr
|
||||
external :: &
|
||||
quit,&
|
||||
PETScErrorF, & ! is called in the CHKERRQ macro
|
||||
PETScInitialize
|
||||
quit
|
||||
|
||||
open(6, encoding='UTF-8') ! for special characters in output
|
||||
|
||||
|
|
@ -230,8 +227,8 @@ subroutine setWorkingDirectory(workingDirectoryArg)
|
|||
implicit none
|
||||
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
|
||||
character(len=1024) :: workingDirectory !< working directory argument
|
||||
external :: quit
|
||||
logical :: error
|
||||
external :: quit
|
||||
|
||||
absolutePath: if (workingDirectoryArg(1:1) == '/') then
|
||||
workingDirectory = workingDirectoryArg
|
||||
|
|
@ -284,11 +281,18 @@ character(len=1024) function getGeometryFile(geometryParameter)
|
|||
|
||||
implicit none
|
||||
character(len=1024), intent(in) :: geometryParameter
|
||||
logical :: file_exists
|
||||
external :: quit
|
||||
|
||||
getGeometryFile = trim(geometryParameter)
|
||||
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile)
|
||||
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile)
|
||||
|
||||
inquire(file=trim(getGeometryFile), exist=file_exists)
|
||||
if (.not. file_exists) then
|
||||
write(6,'(a)') ' Geometry file does not exists ('//trim(getGeometryFile)//')'
|
||||
call quit(1_pInt)
|
||||
endif
|
||||
|
||||
end function getGeometryFile
|
||||
|
||||
|
|
@ -302,11 +306,19 @@ character(len=1024) function getLoadCaseFile(loadCaseParameter)
|
|||
|
||||
implicit none
|
||||
character(len=1024), intent(in) :: loadCaseParameter
|
||||
logical :: file_exists
|
||||
external :: quit
|
||||
|
||||
getLoadCaseFile = trim(loadCaseParameter)
|
||||
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile)
|
||||
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile)
|
||||
|
||||
inquire(file=trim(getLoadCaseFile), exist=file_exists)
|
||||
if (.not. file_exists) then
|
||||
write(6,'(a)') ' Geometry file does not exists ('//trim(getLoadCaseFile)//')'
|
||||
call quit(1_pInt)
|
||||
endif
|
||||
|
||||
end function getLoadCaseFile
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -88,7 +88,6 @@ program DAMASK_spectral
|
|||
real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
|
||||
logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
|
||||
integer(pInt) :: &
|
||||
N_t = 0_pInt, & !< # of time indicators found in load case file
|
||||
N_n = 0_pInt, & !< # of increment specifiers found in load case file
|
||||
|
|
@ -130,8 +129,7 @@ program DAMASK_spectral
|
|||
stagIter
|
||||
character(len=6) :: loadcase_string
|
||||
character(len=1024) :: &
|
||||
incInfo, & !< string parsed to solution with information about current load case
|
||||
workingDir
|
||||
incInfo
|
||||
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
|
||||
type(tLoadCase) :: newLoadCase
|
||||
type(tSolutionState), allocatable, dimension(:) :: solres
|
||||
|
|
@ -140,7 +138,7 @@ program DAMASK_spectral
|
|||
integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
|
||||
integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
|
||||
integer(pLongInt), dimension(2) :: outputIndex
|
||||
integer :: ierr
|
||||
PetscErrorCode :: ierr
|
||||
procedure(basic_init), pointer :: &
|
||||
mech_init
|
||||
procedure(basic_forward), pointer :: &
|
||||
|
|
@ -151,10 +149,9 @@ program DAMASK_spectral
|
|||
external :: &
|
||||
quit
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init DAMASK (all modules)
|
||||
call CPFEM_initAll(el = 1_pInt, ip = 1_pInt)
|
||||
call CPFEM_initAll
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'
|
||||
write(6,'(/,a,/)') ' Roters et al., Computational Materials Science, 2018'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
|
|
@ -378,7 +375,7 @@ program DAMASK_spectral
|
|||
open(newunit=fileUnit,file=trim(getSolverJobName())//&
|
||||
'.spectralOut',form='UNFORMATTED',status='REPLACE')
|
||||
write(fileUnit) 'load:', trim(loadCaseFile) ! ... and write header
|
||||
write(fileUnit) 'workingdir:', trim(workingDir)
|
||||
write(fileUnit) 'workingdir:', 'n/a'
|
||||
write(fileUnit) 'geometry:', trim(geometryFile)
|
||||
write(fileUnit) 'grid:', grid
|
||||
write(fileUnit) 'size:', geomSize
|
||||
|
|
@ -434,14 +431,12 @@ program DAMASK_spectral
|
|||
enddo
|
||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||
endif writeUndeformed
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! looping over load cases
|
||||
|
||||
|
||||
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
time0 = time ! load case start time
|
||||
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop over incs defined in input file for current load case
|
||||
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
|
||||
totalIncsCounter = totalIncsCounter + 1_pInt
|
||||
|
||||
|
|
@ -473,8 +468,6 @@ program DAMASK_spectral
|
|||
else skipping
|
||||
stepFraction = 0_pInt ! fraction scaled by stepFactor**cutLevel
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop over sub step
|
||||
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
|
||||
remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
|
||||
time = time + timeinc ! forward target time
|
||||
|
|
@ -629,63 +622,7 @@ program DAMASK_spectral
|
|||
call MPI_file_close(fileUnit,ierr)
|
||||
close(statUnit)
|
||||
|
||||
if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
|
||||
if (notConvergedCounter > 0_pInt) call quit(2_pInt) ! error if some are not converged
|
||||
call quit(0_pInt) ! no complains ;)
|
||||
|
||||
end program DAMASK_spectral
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief quit subroutine to mimic behavior of FEM solvers
|
||||
!> @details exits the Spectral solver and reports time and duration. Exit code 0 signals
|
||||
!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code
|
||||
!> 2 signals no converged solution and increment of last saved restart information is written to
|
||||
!> stderr. Exit code 3 signals no severe problems, but some increments did not converge
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine quit(stop_id)
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
#ifdef _OPENMP
|
||||
use MPI, only: &
|
||||
MPI_finalize
|
||||
#endif
|
||||
use prec, only: &
|
||||
pInt
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: stop_id
|
||||
integer, dimension(8) :: dateAndTime ! type default integer
|
||||
integer(pInt) :: error = 0_pInt
|
||||
PetscErrorCode :: ierr = 0
|
||||
logical :: ErrorInQuit
|
||||
|
||||
external :: &
|
||||
PETScFinalize
|
||||
|
||||
call PETScFinalize(ierr)
|
||||
if (ierr /= 0) write(6,'(a)') ' Error in PETScFinalize'
|
||||
#ifdef _OPENMP
|
||||
call MPI_finalize(error)
|
||||
if (error /= 0) write(6,'(a)') ' Error in MPI_finalize'
|
||||
#endif
|
||||
ErrorInQuit = (ierr /= 0 .or. error /= 0_pInt)
|
||||
|
||||
call date_and_time(values = dateAndTime)
|
||||
write(6,'(/,a)') 'DAMASK terminated on:'
|
||||
write(6,'(a,2(i2.2,a),i4.4)') 'Date: ',dateAndTime(3),'/',&
|
||||
dateAndTime(2),'/',&
|
||||
dateAndTime(1)
|
||||
write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',&
|
||||
dateAndTime(6),':',&
|
||||
dateAndTime(7)
|
||||
|
||||
if (stop_id == 0_pInt .and. .not. ErrorInQuit) stop 0 ! normal termination
|
||||
if (stop_id < 0_pInt .and. .not. ErrorInQuit) then ! terminally ill, restart might help
|
||||
write(0,'(a,i6)') 'restart information available at ', stop_id*(-1_pInt)
|
||||
stop 2
|
||||
endif
|
||||
if (stop_id == 3_pInt .and. .not. ErrorInQuit) stop 3 ! not all incs converged
|
||||
|
||||
stop 1 ! error (message from IO_error)
|
||||
|
||||
end subroutine quit
|
||||
|
|
|
|||
|
|
@ -5,12 +5,14 @@
|
|||
!> @brief FEM PETSc solver
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module FEM_mech
|
||||
#include <petsc/finclude/petscdmplex.h>
|
||||
#include <petsc/finclude/petscdm.h>
|
||||
#include <petsc/finclude/petsc.h>
|
||||
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use PETScDM
|
||||
use PETScDMplex
|
||||
use PETScsnes
|
||||
use PETScDM
|
||||
use PETScDMplex
|
||||
use PETScDT
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
|
|
@ -20,9 +22,6 @@ use PETScDMplex
|
|||
tSolutionState, &
|
||||
tFieldBC, &
|
||||
tComponentBC
|
||||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize
|
||||
use mesh, only: &
|
||||
mesh_Nboundaries, &
|
||||
mesh_boundaries
|
||||
|
|
@ -45,7 +44,7 @@ use PETScDMplex
|
|||
SNES, private :: mech_snes
|
||||
Vec, private :: solution, solution_rate, solution_local
|
||||
PetscInt, private :: dimPlex, cellDof, nQuadrature, nBasis
|
||||
PetscReal, allocatable, target,dimension(:), private :: qPoints, qWeights
|
||||
PetscReal, allocatable, target, private :: qPoints(:), qWeights(:)
|
||||
MatNullSpace, private :: matnull
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -61,27 +60,6 @@ use PETScDMplex
|
|||
FEM_mech_solution ,&
|
||||
FEM_mech_forward, &
|
||||
FEM_mech_destroy
|
||||
|
||||
external :: &
|
||||
MatZeroRowsColumnsLocalIS, &
|
||||
PetscQuadratureCreate, &
|
||||
PetscFECreateDefault, &
|
||||
PetscFESetQuadrature, &
|
||||
PetscFEGetDimension, &
|
||||
PetscFEDestroy, &
|
||||
PetscFEGetDualSpace, &
|
||||
PetscQuadratureDestroy, &
|
||||
PetscDSSetDiscretization, &
|
||||
PetscDSGetTotalDimension, &
|
||||
PetscDSGetDiscretization, &
|
||||
PetscDualSpaceGetFunctional, &
|
||||
DMGetLabelSize, &
|
||||
DMSNESSetFunctionLocal, &
|
||||
DMSNESSetJacobianLocal, &
|
||||
SNESSetOptionsPrefix, &
|
||||
SNESSetConvergenceTest, &
|
||||
PetscObjectSetName
|
||||
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -97,7 +75,6 @@ subroutine FEM_mech_init(fieldBC)
|
|||
use mesh, only: &
|
||||
geomMesh
|
||||
use numerics, only: &
|
||||
worldrank, &
|
||||
itmax, &
|
||||
integrationOrder
|
||||
use FEM_Zoo, only: &
|
||||
|
|
@ -115,14 +92,14 @@ subroutine FEM_mech_init(fieldBC)
|
|||
DMLabel :: BCLabel
|
||||
PetscInt, allocatable, target :: numComp(:), numDoF(:), bcField(:)
|
||||
PetscInt, pointer :: pNumComp(:), pNumDof(:), pBcField(:), pBcPoint(:)
|
||||
PetscInt :: numBC, bcSize
|
||||
PetscInt :: numBC, bcSize, nc
|
||||
IS :: bcPoint
|
||||
IS, allocatable, target :: bcComps(:), bcPoints(:)
|
||||
IS, pointer :: pBcComps(:), pBcPoints(:)
|
||||
PetscSection :: section
|
||||
PetscInt :: field, faceSet, topologDim, nNodalPoints
|
||||
PetscReal, pointer :: qPointsP(:), qWeightsP(:), &
|
||||
nodalPointsP(:), nodalWeightsP(:)
|
||||
PetscReal, dimension(:) , pointer :: qPointsP, qWeightsP, &
|
||||
nodalPointsP, nodalWeightsP
|
||||
PetscReal, allocatable, target :: nodalPoints(:), nodalWeights(:)
|
||||
PetscScalar, pointer :: px_scal(:)
|
||||
PetscScalar, allocatable, target :: x_scal(:)
|
||||
|
|
@ -132,7 +109,7 @@ subroutine FEM_mech_init(fieldBC)
|
|||
PetscInt :: cellStart, cellEnd, cell, basis
|
||||
character(len=7) :: prefix = 'mechFE_'
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
|
||||
write(6,'(/,a)') ' <<<+- FEM_mech init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
|
@ -144,20 +121,21 @@ subroutine FEM_mech_init(fieldBC)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Setup FEM mech discretization
|
||||
allocate(qPoints(dimPlex*FEM_Zoo_nQuadrature(dimPlex,integrationOrder)))
|
||||
allocate(qWeights(FEM_Zoo_nQuadrature(dimPlex,integrationOrder)))
|
||||
qPoints = FEM_Zoo_QuadraturePoints(dimPlex,integrationOrder)%p
|
||||
qWeights = FEM_Zoo_QuadratureWeights(dimPlex,integrationOrder)%p
|
||||
nQuadrature = FEM_Zoo_nQuadrature(dimPlex,integrationOrder)
|
||||
qPointsP => qPoints
|
||||
qWeightsP => qWeights
|
||||
call PetscQuadratureCreate(PETSC_COMM_SELF,mechQuad,ierr); CHKERRQ(ierr)
|
||||
call PetscQuadratureSetData(mechQuad,dimPlex,nQuadrature,qPointsP,qWeightsP,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PetscFECreateDefault(mech_mesh,dimPlex,dimPlex,PETSC_TRUE,prefix, &
|
||||
nc = dimPlex
|
||||
call PetscQuadratureSetData(mechQuad,dimPlex,nc,nQuadrature,qPointsP,qWeightsP,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PetscFECreateDefault(PETSC_COMM_SELF,dimPlex,nc,PETSC_TRUE,prefix, &
|
||||
integrationOrder,mechFE,ierr); CHKERRQ(ierr)
|
||||
call PetscFESetQuadrature(mechFE,mechQuad,ierr); CHKERRQ(ierr)
|
||||
call PetscFEGetDimension(mechFE,nBasis,ierr); CHKERRQ(ierr)
|
||||
nBasis = nBasis/nc
|
||||
call DMGetDS(mech_mesh,mechDS,ierr); CHKERRQ(ierr)
|
||||
call PetscDSAddDiscretization(mechDS,mechFE,ierr); CHKERRQ(ierr)
|
||||
call PetscDSGetTotalDimension(mechDS,cellDof,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -168,7 +146,7 @@ subroutine FEM_mech_init(fieldBC)
|
|||
! Setup FEM mech boundary conditions
|
||||
call DMGetLabel(mech_mesh,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
|
||||
call DMPlexLabelComplete(mech_mesh,BCLabel,ierr); CHKERRQ(ierr)
|
||||
call DMGetDefaultSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
allocate(numComp(1), source=dimPlex); pNumComp => numComp
|
||||
allocate(numDof(dimPlex+1), source = 0); pNumDof => numDof
|
||||
do topologDim = 0, dimPlex
|
||||
|
|
@ -210,7 +188,7 @@ subroutine FEM_mech_init(fieldBC)
|
|||
numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS, &
|
||||
section,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call DMSetDefaultSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
call DMSetSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
do faceSet = 1, numBC
|
||||
call ISDestroy(bcPoints(faceSet),ierr); CHKERRQ(ierr)
|
||||
enddo
|
||||
|
|
@ -250,7 +228,7 @@ subroutine FEM_mech_init(fieldBC)
|
|||
pV0 => v0
|
||||
pCellJ => cellJ
|
||||
pInvcellJ => invcellJ
|
||||
call DMGetDefaultSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetDS(mech_mesh,mechDS,ierr); CHKERRQ(ierr)
|
||||
call PetscDSGetDiscretization(mechDS,0,mechFE,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
|
@ -262,12 +240,12 @@ subroutine FEM_mech_init(fieldBC)
|
|||
call DMPlexComputeCellGeometryAffineFEM(mech_mesh,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
|
||||
CHKERRQ(ierr)
|
||||
cellJMat = reshape(pCellJ,shape=[dimPlex,dimPlex])
|
||||
do basis = 0, nBasis-1
|
||||
do basis = 0, nBasis*dimPlex-1, dimPlex
|
||||
call PetscDualSpaceGetFunctional(mechDualSpace,basis,functional,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PetscQuadratureGetData(functional,dimPlex,nNodalPoints,nodalPointsP,nodalWeightsP,ierr)
|
||||
call PetscQuadratureGetData(functional,dimPlex,nc,nNodalPoints,nodalPointsP,nodalWeightsP,ierr)
|
||||
CHKERRQ(ierr)
|
||||
x_scal(basis*dimPlex+1:(basis+1)*dimPlex) = pV0 + matmul(transpose(cellJMat),nodalPointsP + 1.0)
|
||||
x_scal(basis+1:basis+dimPlex) = pV0 + matmul(transpose(cellJMat),nodalPointsP + 1.0)
|
||||
enddo
|
||||
px_scal => x_scal
|
||||
call DMPlexVecSetClosure(mech_mesh,section,solution_local,cell,px_scal,INSERT_ALL_VALUES,ierr)
|
||||
|
|
@ -371,7 +349,7 @@ subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
|
|||
pV0 => v0
|
||||
pCellJ => cellJ
|
||||
pInvcellJ => invcellJ
|
||||
call DMGetDefaultSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetDS(dm_local,prob,ierr); CHKERRQ(ierr)
|
||||
call PetscDSGetTabulation(prob,0,basisField,basisFieldDer,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
|
@ -405,8 +383,8 @@ subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
|
|||
do comp = 0, dimPlex-1
|
||||
cidx = basis*dimPlex+comp
|
||||
BMat(comp*dimPlex+1:(comp+1)*dimPlex,basis*dimPlex+comp+1) = &
|
||||
matmul(IcellJMat,basisFieldDer((qPt*nBasis*dimPlex+cidx )*dimPlex+1: &
|
||||
(qPt*nBasis*dimPlex+cidx+1)*dimPlex ))
|
||||
matmul(IcellJMat,basisFieldDer((((qPt*nBasis + basis)*dimPlex + comp)*dimPlex+comp )*dimPlex+1: &
|
||||
(((qPt*nBasis + basis)*dimPlex + comp)*dimPlex+comp+1)*dimPlex))
|
||||
enddo
|
||||
enddo
|
||||
materialpoint_F(1:dimPlex,1:dimPlex,qPt+1,cell+1) = &
|
||||
|
|
@ -446,8 +424,8 @@ subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
|
|||
do comp = 0, dimPlex-1
|
||||
cidx = basis*dimPlex+comp
|
||||
BMat(comp*dimPlex+1:(comp+1)*dimPlex,basis*dimPlex+comp+1) = &
|
||||
matmul(IcellJMat,basisFieldDer((qPt*nBasis*dimPlex+cidx )*dimPlex+1: &
|
||||
(qPt*nBasis*dimPlex+cidx+1)*dimPlex ))
|
||||
matmul(IcellJMat,basisFieldDer((((qPt*nBasis + basis)*dimPlex + comp)*dimPlex+comp )*dimPlex+1: &
|
||||
(((qPt*nBasis + basis)*dimPlex + comp)*dimPlex+comp+1)*dimPlex))
|
||||
enddo
|
||||
enddo
|
||||
f_scal = f_scal + &
|
||||
|
|
@ -520,8 +498,8 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
|
|||
call MatZeroEntries(Jac,ierr); CHKERRQ(ierr)
|
||||
call DMGetDS(dm_local,prob,ierr); CHKERRQ(ierr)
|
||||
call PetscDSGetTabulation(prob,0,basisField,basisFieldDer,ierr)
|
||||
call DMGetDefaultSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetDefaultGlobalSection(dm_local,gSection,ierr); CHKERRQ(ierr)
|
||||
call DMGetSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetGlobalSection(dm_local,gSection,ierr); CHKERRQ(ierr)
|
||||
|
||||
call DMGetLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
|
||||
call VecWAXPY(x_local,1.0,xx_local,solution_local,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -555,8 +533,8 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
|
|||
do comp = 0, dimPlex-1
|
||||
cidx = basis*dimPlex+comp
|
||||
BMat(comp*dimPlex+1:(comp+1)*dimPlex,basis*dimPlex+comp+1) = &
|
||||
matmul(IcellJMat,basisFieldDer((qPt*nBasis*dimPlex+cidx )*dimPlex+1: &
|
||||
(qPt*nBasis*dimPlex+cidx+1)*dimPlex ))
|
||||
matmul(IcellJMat,basisFieldDer((((qPt*nBasis + basis)*dimPlex + comp)*dimPlex+comp )*dimPlex+1: &
|
||||
(((qPt*nBasis + basis)*dimPlex + comp)*dimPlex+comp+1)*dimPlex))
|
||||
enddo
|
||||
enddo
|
||||
MatA = matmul(reshape(reshape(materialpoint_dPdF(1:dimPlex,1:dimPlex,1:dimPlex,1:dimPlex,qPt+1,cell+1), &
|
||||
|
|
@ -605,7 +583,7 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! apply boundary conditions
|
||||
!call DMPlexCreateRigidBody(dm_local,matnull,ierr); CHKERRQ(ierr) MD: linker error
|
||||
call DMPlexCreateRigidBody(dm_local,matnull,ierr); CHKERRQ(ierr)
|
||||
call MatSetNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
|
||||
call MatSetNearNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
|
||||
call MatNullSpaceDestroy(matnull,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -646,7 +624,7 @@ subroutine FEM_mech_forward(guess,timeinc,timeinc_old,fieldBC)
|
|||
ForwardData = .True.
|
||||
materialpoint_F0 = materialpoint_F
|
||||
call SNESGetDM(mech_snes,dm_local,ierr); CHKERRQ(ierr) !< retrieve mesh info from mech_snes into dm_local
|
||||
call DMGetDefaultSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetSection(dm_local,section,ierr); CHKERRQ(ierr)
|
||||
call DMGetLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
|
||||
call VecSet(x_local,0.0,ierr); CHKERRQ(ierr)
|
||||
call DMGlobalToLocalBegin(dm_local,solution,INSERT_VALUES,x_local,ierr) !< retrieve my partition of global solution vector
|
||||
|
|
@ -684,6 +662,7 @@ end subroutine FEM_mech_forward
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
|
||||
use numerics, only: &
|
||||
worldrank, &
|
||||
err_struct_tolAbs, &
|
||||
err_struct_tolRel
|
||||
use IO, only: &
|
||||
|
|
|
|||
|
|
@ -3,9 +3,12 @@
|
|||
!> @brief Utilities used by the FEM solver
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module FEM_utilities
|
||||
#include <petsc/finclude/petsc.h>
|
||||
#include <petsc/finclude/petscdmplex.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
#include <petsc/finclude/petscis.h>
|
||||
use prec, only: pReal, pInt
|
||||
|
||||
use PETScdmplex
|
||||
use PETScdmda
|
||||
use PETScis
|
||||
|
||||
|
|
@ -21,25 +24,15 @@ use PETScis
|
|||
! grid related information information
|
||||
real(pReal), public :: wgt !< weighting factor 1/Nelems
|
||||
real(pReal), public :: wgtDof !< weighting factor 1/Nelems
|
||||
real(pReal), public :: C_volAvg(3,3,3,3)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! output data
|
||||
PetscViewer, public :: resUnit
|
||||
Vec, public :: coordinatesVec
|
||||
Vec, allocatable, public :: homogenizationResultsVec(:), &
|
||||
crystalliteResultsVec(:,:), &
|
||||
phaseResultsVec(:,:)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! field labels information
|
||||
character(len=*), parameter, public :: &
|
||||
FIELD_MECH_label = 'mechanical', &
|
||||
FIELD_THERMAL_label = 'thermal', &
|
||||
FIELD_DAMAGE_label = 'damage', &
|
||||
FIELD_SOLUTE_label = 'solute', &
|
||||
FIELD_MGTWIN_label = 'mgtwin'
|
||||
|
||||
FIELD_MECH_label = 'mechanical'
|
||||
|
||||
enum, bind(c)
|
||||
enumerator :: FIELD_UNDEFINED_ID, &
|
||||
FIELD_MECH_ID, &
|
||||
|
|
@ -123,34 +116,10 @@ use PETScis
|
|||
utilities_indexActiveSet, &
|
||||
utilities_destroy, &
|
||||
FIELD_MECH_ID, &
|
||||
FIELD_THERMAL_ID, &
|
||||
FIELD_DAMAGE_ID, &
|
||||
FIELD_SOLUTE_ID, &
|
||||
FIELD_MGTWIN_ID, &
|
||||
COMPONENT_MECH_X_ID, &
|
||||
COMPONENT_MECH_Y_ID, &
|
||||
COMPONENT_MECH_Z_ID, &
|
||||
COMPONENT_THERMAL_T_ID, &
|
||||
COMPONENT_DAMAGE_PHI_ID, &
|
||||
COMPONENT_SOLUTE_CV_ID, &
|
||||
COMPONENT_SOLUTE_CVPOT_ID, &
|
||||
COMPONENT_SOLUTE_CH_ID, &
|
||||
COMPONENT_SOLUTE_CHPOT_ID, &
|
||||
COMPONENT_SOLUTE_CVaH_ID, &
|
||||
COMPONENT_SOLUTE_CVaHPOT_ID, &
|
||||
COMPONENT_MGTWIN_PHI_ID
|
||||
|
||||
external :: &
|
||||
PetscOptionsInsertString, &
|
||||
PetscObjectSetName, &
|
||||
DMPlexGetHeightStratum, &
|
||||
DMGetLabelIdIS, &
|
||||
DMPlexGetChart, &
|
||||
DMPlexLabelComplete, &
|
||||
PetscViewerHDF5Open, &
|
||||
PetscViewerHDF5PushGroup, &
|
||||
PetscViewerHDF5PopGroup, &
|
||||
PetscViewerDestroy
|
||||
COMPONENT_THERMAL_T_ID
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -167,6 +136,7 @@ subroutine utilities_init()
|
|||
IO_timeStamp, &
|
||||
IO_open_file
|
||||
use numerics, only: &
|
||||
structOrder, &
|
||||
integrationOrder, &
|
||||
worldsize, &
|
||||
worldrank, &
|
||||
|
|
@ -190,14 +160,11 @@ subroutine utilities_init()
|
|||
|
||||
implicit none
|
||||
|
||||
character(len=1024) :: petsc_optionsPhysics, grainStr
|
||||
character(len=1024) :: petsc_optionsPhysics
|
||||
integer(pInt) :: dimPlex
|
||||
integer(pInt) :: headerID = 205_pInt
|
||||
PetscInt, dimension(:), pointer :: points
|
||||
PetscInt, allocatable :: nEntities(:), nOutputCells(:), nOutputNodes(:), mappingCells(:)
|
||||
PetscInt :: cellStart, cellEnd, cell, ip, dim, ctr, qPt
|
||||
PetscInt, allocatable :: connectivity(:,:)
|
||||
Vec :: connectivityVec
|
||||
PetscInt, allocatable :: nEntities(:), nOutputCells(:), nOutputNodes(:)
|
||||
PetscInt :: dim
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_FEM_utilities init -+>>>'
|
||||
|
|
@ -221,15 +188,12 @@ subroutine utilities_init()
|
|||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_defaultOptions),ierr)
|
||||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
|
||||
CHKERRQ(ierr)
|
||||
!write(petsc_optionsPhysics,'(a,i0)') '-mechFE_petscspace_order ' , structOrder
|
||||
write(petsc_optionsPhysics,'(a,i0)') '-mechFE_petscspace_degree ' , structOrder
|
||||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsPhysics),ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
wgt = 1.0/real(mesh_maxNips*mesh_NcpElemsGlobal,pReal)
|
||||
|
||||
call PetscViewerHDF5Open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.h5', &
|
||||
FILE_MODE_WRITE, resUnit, ierr); CHKERRQ(ierr)
|
||||
call PetscViewerHDF5PushGroup(resUnit, '/', ierr); CHKERRQ(ierr)
|
||||
call DMGetDimension(geomMesh,dimPlex,ierr); CHKERRQ(ierr)
|
||||
allocate(nEntities(dimPlex+1), source=0)
|
||||
allocate(nOutputNodes(worldsize), source = 0)
|
||||
|
|
@ -257,178 +221,6 @@ subroutine utilities_init()
|
|||
write(headerID, '(a,i0)') 'number of cells : ', sum(nOutputCells)
|
||||
endif
|
||||
|
||||
allocate(connectivity(2**dimPlex,nOutputCells(worldrank+1)))
|
||||
call DMPlexGetHeightStratum(geomMesh,0,cellStart,cellEnd,ierr)
|
||||
CHKERRQ(ierr)
|
||||
ctr = 0
|
||||
select case (integrationOrder)
|
||||
case(1_pInt)
|
||||
do cell = cellStart, cellEnd-1 !< loop over all elements
|
||||
call DMPlexGetTransitiveClosure(geomMesh,cell,PETSC_TRUE,points,ierr)
|
||||
CHKERRQ(ierr)
|
||||
if (dimPlex == 2) then
|
||||
connectivity(:,ctr+1) = [points( 9), points(11), points(13), points(13)] - nEntities(dimPlex+1)
|
||||
ctr = ctr + 1
|
||||
else
|
||||
connectivity(:,ctr+1) = [points(23), points(25), points(27), points(27), &
|
||||
points(29), points(29), points(29), points(29)] - nEntities(dimPlex+1)
|
||||
ctr = ctr + 1
|
||||
endif
|
||||
enddo
|
||||
|
||||
case(2_pInt)
|
||||
do cell = cellStart, cellEnd-1 !< loop over all elements
|
||||
call DMPlexGetTransitiveClosure(geomMesh,cell,PETSC_TRUE,points,ierr)
|
||||
CHKERRQ(ierr)
|
||||
if (dimPlex == 2) then
|
||||
connectivity(:,ctr+1) = [points(9 ), points(3), points(1), points(7)]
|
||||
connectivity(:,ctr+2) = [points(11), points(5), points(1), points(3)]
|
||||
connectivity(:,ctr+3) = [points(13), points(7), points(1), points(5)]
|
||||
ctr = ctr + 3
|
||||
else
|
||||
connectivity(:,ctr+1) = [points(23), points(11), points(3), points(15), points(17), points(5), points(1), points(7)]
|
||||
connectivity(:,ctr+2) = [points(25), points(13), points(3), points(11), points(19), points(9), points(1), points(5)]
|
||||
connectivity(:,ctr+3) = [points(27), points(15), points(3), points(13), points(21), points(7), points(1), points(9)]
|
||||
connectivity(:,ctr+4) = [points(29), points(17), points(7), points(21), points(19), points(5), points(1), points(9)]
|
||||
ctr = ctr + 4_pInt
|
||||
endif
|
||||
enddo
|
||||
|
||||
case default
|
||||
do cell = cellStart, cellEnd-1; do ip = 0, mesh_maxNips-1
|
||||
connectivity(:,ctr+1) = cell*mesh_maxNips + ip
|
||||
ctr = ctr + 1
|
||||
enddo; enddo
|
||||
|
||||
end select
|
||||
connectivity = connectivity + sum(nOutputNodes(1:worldrank))
|
||||
|
||||
call VecCreateMPI(PETSC_COMM_WORLD,dimPlex*nOutputNodes(worldrank+1),dimPlex*sum(nOutputNodes), &
|
||||
coordinatesVec,ierr);CHKERRQ(ierr)
|
||||
call PetscObjectSetName(coordinatesVec, 'NodalCoordinates',ierr)
|
||||
call VecSetFromOptions(coordinatesVec, ierr); CHKERRQ(ierr)
|
||||
|
||||
!allocate(mappingCells(worldsize), source = 0)
|
||||
!do homog = 1, material_Nhomogenization
|
||||
! mappingCells = 0_pInt; mappingCells(worldrank+1) = homogOutput(homog)%sizeIpCells
|
||||
! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
|
||||
! homogenizationResultsVec(homog),ierr);CHKERRQ(ierr)
|
||||
! if (sum(mappingCells) > 0) then
|
||||
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
|
||||
! connectivityVec,ierr);CHKERRQ(ierr)
|
||||
! call PetscObjectSetName(connectivityVec,'mapping_'//trim(homogenization_name(homog)),ierr)
|
||||
! CHKERRQ(ierr)
|
||||
! call VecGetArrayF90(connectivityVec,results,ierr); CHKERRQ(ierr)
|
||||
! results = 0.0_pReal; ctr = 1_pInt
|
||||
! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
|
||||
! if (material_homog(qPt,cell+1) == homog) then
|
||||
! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
|
||||
! shape=[2**dimPlex]))
|
||||
! ctr = ctr + 2**dimPlex
|
||||
! endif
|
||||
! enddo; enddo
|
||||
! call VecRestoreArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
|
||||
! call VecAssemblyBegin(connectivityVec, ierr); CHKERRQ(ierr)
|
||||
! call VecAssemblyEnd (connectivityVec, ierr); CHKERRQ(ierr)
|
||||
! call VecView(connectivityVec, resUnit, ierr); CHKERRQ(ierr)
|
||||
! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
|
||||
! endif
|
||||
!enddo
|
||||
!do cryst = 1, material_Ncrystallite; do grain = 1, homogenization_maxNgrains
|
||||
! mappingCells = 0_pInt
|
||||
! mappingCells(worldrank+1) = crystalliteOutput(cryst,grain)%sizeIpCells
|
||||
! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
|
||||
! crystalliteResultsVec(cryst,grain),ierr);CHKERRQ(ierr)
|
||||
! if (sum(mappingCells) > 0) then
|
||||
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
|
||||
! connectivityVec,ierr);CHKERRQ(ierr)
|
||||
! write(grainStr,'(a,i0)') 'Grain',grain
|
||||
! call PetscObjectSetName(connectivityVec,'mapping_'// &
|
||||
! trim(crystallite_name(cryst))//'_'// &
|
||||
! trim(grainStr),ierr)
|
||||
! CHKERRQ(ierr)
|
||||
! call VecGetArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
|
||||
! results = 0.0_pReal; ctr = 1_pInt
|
||||
! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
|
||||
! if (homogenization_Ngrains (mesh_element(3,cell+1)) >= grain .and. &
|
||||
! microstructure_crystallite(mesh_element(4,cell+1)) == cryst) then
|
||||
! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
|
||||
! shape=[2**dimPlex]))
|
||||
! ctr = ctr + 2**dimPlex
|
||||
! endif
|
||||
! enddo; enddo
|
||||
! call VecRestoreArrayF90(connectivityVec, results, ierr); CHKERRQ(ierr)
|
||||
! call VecAssemblyBegin(connectivityVec, ierr); CHKERRQ(ierr)
|
||||
! call VecAssemblyEnd (connectivityVec, ierr); CHKERRQ(ierr)
|
||||
! call VecView(connectivityVec, resUnit, ierr); CHKERRQ(ierr)
|
||||
! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
|
||||
! endif
|
||||
!enddo; enddo
|
||||
!do phase = 1, material_Nphase; do grain = 1, homogenization_maxNgrains
|
||||
! mappingCells = 0_pInt
|
||||
! mappingCells(worldrank+1) = phaseOutput(phase,grain)%sizeIpCells
|
||||
! call MPI_Allreduce(MPI_IN_PLACE,mappingCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1),sum(mappingCells), &
|
||||
! phaseResultsVec(phase,grain),ierr);CHKERRQ(ierr)
|
||||
! if (sum(mappingCells) > 0) then
|
||||
! call VecCreateMPI(PETSC_COMM_WORLD,mappingCells(worldrank+1)*2**dimPlex,sum(mappingCells)*2**dimPlex, &
|
||||
! connectivityVec,ierr);CHKERRQ(ierr)
|
||||
! write(grainStr,'(a,i0)') 'Grain',grain
|
||||
! call PetscObjectSetName(connectivityVec,&
|
||||
! 'mapping_'//trim(phase_name(phase))//'_'// &
|
||||
! trim(grainStr),ierr)
|
||||
! CHKERRQ(ierr)
|
||||
! call VecGetArrayF90(connectivityVec, results, ierr)
|
||||
! CHKERRQ(ierr)
|
||||
! results = 0.0_pReal; ctr = 1_pInt
|
||||
! do cell = cellStart, cellEnd-1; do qPt = 1, mesh_maxNips
|
||||
! if (material_phase(grain,qPt,cell+1) == phase) then
|
||||
! results(ctr:ctr+2**dimPlex-1) = real(reshape(connectivity(1:2**dimPlex,mesh_maxNips*cell+qPt), &
|
||||
! shape=[2**dimPlex]))
|
||||
! ctr = ctr + 2**dimPlex
|
||||
! endif
|
||||
! enddo; enddo
|
||||
! call VecRestoreArrayF90(connectivityVec, results, ierr)
|
||||
! CHKERRQ(ierr)
|
||||
! call VecAssemblyBegin(connectivityVec, ierr);CHKERRQ(ierr)
|
||||
! call VecAssemblyEnd (connectivityVec, ierr);CHKERRQ(ierr)
|
||||
! call VecView(connectivityVec, resUnit, ierr);CHKERRQ(ierr)
|
||||
! call VecDestroy(connectivityVec, ierr); CHKERRQ(ierr)
|
||||
! endif
|
||||
!enddo; enddo
|
||||
!if (worldrank == 0_pInt) then
|
||||
! do homog = 1, material_Nhomogenization
|
||||
! call VecGetSize(homogenizationResultsVec(homog),mappingCells(1),ierr)
|
||||
! CHKERRQ(ierr)
|
||||
! if (mappingCells(1) > 0) &
|
||||
! write(headerID, '(a,i0)') 'number of homog_'// &
|
||||
! trim(homogenization_name(homog))//'_'// &
|
||||
! 'cells : ', mappingCells(1)
|
||||
! enddo
|
||||
! do cryst = 1, material_Ncrystallite; do grain = 1, homogenization_maxNgrains
|
||||
! call VecGetSize(crystalliteResultsVec(cryst,grain),mappingCells(1),ierr)
|
||||
! CHKERRQ(ierr)
|
||||
! write(grainStr,'(a,i0)') 'Grain',grain
|
||||
! if (mappingCells(1) > 0) &
|
||||
! write(headerID, '(a,i0)') 'number of cryst_'// &
|
||||
! trim(crystallite_name(cryst))//'_'// &
|
||||
! trim(grainStr)//'_'// &
|
||||
! 'cells : ', mappingCells(1)
|
||||
! enddo; enddo
|
||||
! do phase = 1, material_Nphase; do grain = 1, homogenization_maxNgrains
|
||||
! call VecGetSize(phaseResultsVec(phase,grain),mappingCells(1),ierr)
|
||||
! CHKERRQ(ierr)
|
||||
! write(grainStr,'(a,i0)') 'Grain',grain
|
||||
! if (mappingCells(1) > 0) &
|
||||
! write(headerID, '(a,i0)') 'number of phase_'// &
|
||||
! trim(phase_name(phase))//'_'//trim(grainStr)//'_'// &
|
||||
! 'cells : ', mappingCells(1)
|
||||
! enddo; enddo
|
||||
! close(headerID)
|
||||
!endif
|
||||
|
||||
end subroutine utilities_init
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -438,8 +230,6 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
|
|||
use debug, only: &
|
||||
debug_reset, &
|
||||
debug_info
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
use math, only: &
|
||||
math_transpose33, &
|
||||
math_rotate_forward33, &
|
||||
|
|
@ -447,10 +237,8 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
|
|||
use FEsolving, only: &
|
||||
restartWrite
|
||||
use homogenization, only: &
|
||||
materialpoint_F0, &
|
||||
materialpoint_F, &
|
||||
materialpoint_P, &
|
||||
materialpoint_dPdF, &
|
||||
materialpoint_stressAndItsTangent
|
||||
use mesh, only: &
|
||||
mesh_NcpElems
|
||||
|
|
@ -503,9 +291,7 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
|
|||
cutBack = .false. ! reset cutBack status
|
||||
|
||||
P_av = sum(sum(materialpoint_P,dim=4),dim=3) * wgt ! average of P
|
||||
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD, ierr)
|
||||
|
||||
end subroutine utilities_constitutiveResponse
|
||||
|
||||
|
|
|
|||
|
|
@ -208,7 +208,7 @@ recursive function IO_recursiveRead(fileName,cnt) result(fileContent)
|
|||
! count lines to allocate string array
|
||||
myTotalLines = 0_pInt
|
||||
do l=1_pInt, len(rawData)
|
||||
if (rawData(l:l) == new_line('')) myTotalLines = myTotalLines+1
|
||||
if (rawData(l:l) == new_line('') .or. l==len(rawData)) myTotalLines = myTotalLines+1 ! end of line or end of file without new line
|
||||
enddo
|
||||
allocate(fileContent(myTotalLines))
|
||||
|
||||
|
|
@ -222,6 +222,7 @@ recursive function IO_recursiveRead(fileName,cnt) result(fileContent)
|
|||
do while (startPos <= len(rawData))
|
||||
l = l + 1_pInt
|
||||
endPos = endPos + scan(rawData(startPos:),new_line(''))
|
||||
if(endPos < startPos) endPos = len(rawData) ! end of file without end of line
|
||||
if(endPos - startPos >256) call IO_error(107_pInt,ext_msg=trim(fileName))
|
||||
line = rawData(startPos:endPos-1_pInt)
|
||||
startPos = endPos + 1_pInt
|
||||
|
|
@ -1458,6 +1459,10 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
|||
msg = 'empty list'
|
||||
case (143_pInt)
|
||||
msg = 'no value found for key'
|
||||
case (144_pInt)
|
||||
msg = 'negative number systems requested'
|
||||
case (145_pInt)
|
||||
msg = 'too many systems requested'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! material error messages and related messages in mesh
|
||||
|
|
@ -1487,6 +1492,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
|||
msg = 'no microstructure specified via State Variable 3'
|
||||
case (190_pInt)
|
||||
msg = 'unknown element type:'
|
||||
case (191_pInt)
|
||||
msg = 'mesh consists of more than one element type'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! plasticity error messages
|
||||
|
|
|
|||
|
|
@ -0,0 +1,427 @@
|
|||
! common block definition file taken from respective MSC.Marc release and reformated to free format
|
||||
!***********************************************************************
|
||||
!
|
||||
! File: concom.cmn
|
||||
!
|
||||
! MSC.Marc include file
|
||||
!
|
||||
integer(pInt) &
|
||||
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
|
||||
dimension :: ideva(60)
|
||||
integer(pInt) num_concom
|
||||
parameter(num_concom=251)
|
||||
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
|
||||
!
|
||||
! 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
|
||||
! 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
|
||||
!
|
||||
! 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.
|
||||
! 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
|
||||
! 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
|
||||
! 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 software (ADAMS-MARC)
|
||||
! 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
|
||||
!
|
||||
!***********************************************************************
|
||||
!$omp threadprivate(/marc_concom/)
|
||||
!!
|
||||
|
|
@ -0,0 +1,66 @@
|
|||
! 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(pInt) 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(pInt) num_creepsr,num_creepsi,num_creeps2r
|
||||
parameter(num_creepsr=7)
|
||||
parameter(num_creepsi=17)
|
||||
parameter(num_creeps2r=6)
|
||||
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 Pointer to constant 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 Pointer to storage of material id cross reference numbers.
|
||||
! iicpmt
|
||||
! iicpa Pointer to constant 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/)
|
||||
!!
|
||||
|
|
@ -386,7 +386,7 @@ subroutine constitutive_microstructure(orientations, Fe, Fp, ipc, ip, el)
|
|||
use material, only: &
|
||||
phase_plasticity, &
|
||||
material_phase, &
|
||||
material_homog, &
|
||||
material_homogenizationAt, &
|
||||
temperature, &
|
||||
thermalMapping, &
|
||||
PLASTICITY_dislotwin_ID, &
|
||||
|
|
@ -413,7 +413,7 @@ subroutine constitutive_microstructure(orientations, Fe, Fp, ipc, ip, el)
|
|||
real(pReal), intent(in), dimension(:,:,:,:) :: &
|
||||
orientations !< crystal orientations as quaternions
|
||||
|
||||
ho = material_homog(ip,el)
|
||||
ho = material_homogenizationAt(el)
|
||||
tme = thermalMapping(ho)%p(ip,el)
|
||||
|
||||
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
|
||||
|
|
@ -440,9 +440,11 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
|
|||
math_Mandel33to6, &
|
||||
math_Plain99to3333
|
||||
use material, only: &
|
||||
phasememberAt, &
|
||||
phase_plasticity, &
|
||||
phase_plasticityInstance, &
|
||||
material_phase, &
|
||||
material_homog, &
|
||||
material_homogenizationAt, &
|
||||
temperature, &
|
||||
thermalMapping, &
|
||||
PLASTICITY_NONE_ID, &
|
||||
|
|
@ -490,9 +492,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
|
|||
ho, & !< homogenization
|
||||
tme !< thermal member position
|
||||
integer(pInt) :: &
|
||||
i, j
|
||||
i, j, instance, of
|
||||
|
||||
ho = material_homog(ip,el)
|
||||
ho = material_homogenizationAt(el)
|
||||
tme = thermalMapping(ho)%p(ip,el)
|
||||
|
||||
S = math_Mandel6to33(S6)
|
||||
|
|
@ -509,8 +511,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
|
|||
dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget
|
||||
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el)
|
||||
dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el)
|
||||
|
|
@ -533,11 +536,19 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
|
|||
|
||||
end select plasticityType
|
||||
|
||||
#ifdef __INTEL_COMPILER
|
||||
forall(i = 1_pInt:3_pInt, j = 1_pInt:3_pInt)
|
||||
#else
|
||||
do concurrent(i = 1_pInt:3_pInt, j = 1_pInt:3_pInt)
|
||||
#endif
|
||||
dLp_dFi(i,j,1:3,1:3) = math_mul33x33(math_mul33x33(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
|
||||
math_mul33x33(math_mul33x33(Fi,dLp_dMp(i,j,1:3,1:3)),S)
|
||||
dLp_dS(i,j,1:3,1:3) = math_mul33x33(math_mul33x33(transpose(Fi),Fi),dLp_dMp(i,j,1:3,1:3)) ! ToDo: @PS: why not: dLp_dMp:(FiT Fi)
|
||||
enddo
|
||||
#ifdef __INTEL_COMPILER
|
||||
end forall
|
||||
#else
|
||||
enddo
|
||||
#endif
|
||||
|
||||
end subroutine constitutive_LpAndItsTangents
|
||||
|
||||
|
|
@ -644,11 +655,12 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, S6, Fi, ipc, ip, e
|
|||
detFi = math_det33(Fi)
|
||||
Li = math_mul33x33(math_mul33x33(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
|
||||
temp_33 = math_mul33x33(FiInv,Li)
|
||||
do concurrent(i = 1_pInt:3_pInt, j = 1_pInt:3_pInt)
|
||||
|
||||
do i = 1_pInt,3_pInt; do j = 1_pInt,3_pInt
|
||||
dLi_dS(1:3,1:3,i,j) = math_mul33x33(math_mul33x33(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
|
||||
dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
|
||||
dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
|
||||
end do
|
||||
end do; end do
|
||||
|
||||
end subroutine constitutive_LiAndItsTangents
|
||||
|
||||
|
|
@ -749,7 +761,7 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, Fe, Fi, ipc, ip
|
|||
math_I3
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
material_homog, &
|
||||
material_homogenizationAt, &
|
||||
phase_NstiffnessDegradations, &
|
||||
phase_stiffnessDegradation, &
|
||||
damage, &
|
||||
|
|
@ -780,8 +792,7 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, Fe, Fi, ipc, ip
|
|||
integer(pInt) :: &
|
||||
i, j
|
||||
|
||||
ho = material_homog(ip,el)
|
||||
|
||||
ho = material_homogenizationAt(el)
|
||||
C = math_Mandel66to3333(constitutive_homogenizedC(ipc,ip,el))
|
||||
|
||||
DegradationLoop: do d = 1_pInt, phase_NstiffnessDegradations(material_phase(ipc,ip,el))
|
||||
|
|
@ -818,6 +829,7 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
|
|||
debug_constitutive, &
|
||||
debug_levelBasic
|
||||
use math, only: &
|
||||
math_mul33x33, &
|
||||
math_Mandel6to33, &
|
||||
math_Mandel33to6, &
|
||||
math_mul33x33
|
||||
|
|
@ -825,11 +837,13 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
|
|||
mesh_NcpElems, &
|
||||
mesh_maxNips
|
||||
use material, only: &
|
||||
phasememberAt, &
|
||||
phase_plasticityInstance, &
|
||||
phase_plasticity, &
|
||||
phase_source, &
|
||||
phase_Nsources, &
|
||||
material_phase, &
|
||||
material_homog, &
|
||||
material_homogenizationAt, &
|
||||
temperature, &
|
||||
thermalMapping, &
|
||||
homogenization_maxNgrains, &
|
||||
|
|
@ -882,38 +896,41 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
|
|||
real(pReal), intent(in), dimension(6) :: &
|
||||
S6 !< 2nd Piola Kirchhoff stress (vector notation)
|
||||
real(pReal), dimension(3,3) :: &
|
||||
Mstar
|
||||
Mp
|
||||
integer(pInt) :: &
|
||||
ho, & !< homogenization
|
||||
tme, & !< thermal member position
|
||||
s !< counter in source loop
|
||||
s, & !< counter in source loop
|
||||
instance, of
|
||||
|
||||
ho = material_homog( ip,el)
|
||||
ho = material_homogenizationAt(el)
|
||||
tme = thermalMapping(ho)%p(ip,el)
|
||||
|
||||
Mstar = math_mul33x33(math_mul33x33(transpose(Fi),Fi),math_Mandel6to33(S6))
|
||||
Mp = math_mul33x33(math_mul33x33(transpose(Fi),Fi),math_Mandel6to33(S6))
|
||||
|
||||
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
|
||||
|
||||
case (PLASTICITY_ISOTROPIC_ID) plasticityType
|
||||
call plastic_isotropic_dotState (math_Mandel33to6(Mstar),ipc,ip,el)
|
||||
call plastic_isotropic_dotState (math_Mandel33to6(Mp),ipc,ip,el)
|
||||
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
call plastic_phenopowerlaw_dotState(math_Mandel33to6(Mstar),ipc,ip,el)
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
call plastic_phenopowerlaw_dotState(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_dotState(math_Mandel33to6(Mstar),ipc,ip,el)
|
||||
call plastic_kinehardening_dotState(math_Mandel33to6(Mp),ipc,ip,el)
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
call plastic_dislotwin_dotState (math_Mandel33to6(Mstar),temperature(ho)%p(tme), &
|
||||
call plastic_dislotwin_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), &
|
||||
ipc,ip,el)
|
||||
|
||||
case (PLASTICITY_DISLOUCLA_ID) plasticityType
|
||||
call plastic_disloucla_dotState (math_Mandel33to6(Mstar),temperature(ho)%p(tme), &
|
||||
call plastic_disloucla_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), &
|
||||
ipc,ip,el)
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticityType
|
||||
call plastic_nonlocal_dotState (math_Mandel33to6(Mstar),FeArray,FpArray,temperature(ho)%p(tme), &
|
||||
call plastic_nonlocal_dotState (math_Mandel33to6(Mp),FeArray,FpArray,temperature(ho)%p(tme), &
|
||||
subdt,subfracArray,ip,el)
|
||||
end select plasticityType
|
||||
|
||||
|
|
@ -1027,20 +1044,25 @@ end subroutine constitutive_collectDeltaState
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns array of constitutive results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function constitutive_postResults(S6, FeArray, ipc, ip, el)
|
||||
function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
|
||||
use prec, only: &
|
||||
pReal
|
||||
use math, only: &
|
||||
math_Mandel6to33, &
|
||||
math_mul33x33
|
||||
use mesh, only: &
|
||||
mesh_NcpElems, &
|
||||
mesh_maxNips
|
||||
use material, only: &
|
||||
phasememberAt, &
|
||||
phase_plasticityInstance, &
|
||||
plasticState, &
|
||||
sourceState, &
|
||||
phase_plasticity, &
|
||||
phase_source, &
|
||||
phase_Nsources, &
|
||||
material_phase, &
|
||||
material_homog, &
|
||||
material_homogenizationAt, &
|
||||
temperature, &
|
||||
thermalMapping, &
|
||||
homogenization_maxNgrains, &
|
||||
|
|
@ -1084,20 +1106,26 @@ function constitutive_postResults(S6, FeArray, ipc, ip, el)
|
|||
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults + &
|
||||
sum(sourceState(material_phase(ipc,ip,el))%p(:)%sizePostResults)) :: &
|
||||
constitutive_postResults
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
FeArray !< elastic deformation gradient
|
||||
real(pReal), intent(in), dimension(6) :: &
|
||||
S6 !< 2nd Piola Kirchhoff stress (vector notation)
|
||||
real(pReal), dimension(3,3) :: &
|
||||
Mp !< Mandel stress
|
||||
integer(pInt) :: &
|
||||
startPos, endPos
|
||||
integer(pInt) :: &
|
||||
ho, & !< homogenization
|
||||
tme, & !< thermal member position
|
||||
s !< counter in source loop
|
||||
s, of, instance !< counter in source loop
|
||||
|
||||
constitutive_postResults = 0.0_pReal
|
||||
|
||||
ho = material_homog( ip,el)
|
||||
Mp = math_mul33x33(math_mul33x33(transpose(Fi),Fi),math_Mandel6to33(S6))
|
||||
|
||||
ho = material_homogenizationAt(el)
|
||||
tme = thermalMapping(ho)%p(ip,el)
|
||||
|
||||
startPos = 1_pInt
|
||||
|
|
@ -1105,10 +1133,13 @@ function constitutive_postResults(S6, FeArray, ipc, ip, el)
|
|||
|
||||
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
|
||||
case (PLASTICITY_ISOTROPIC_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = plastic_isotropic_postResults(S6,ipc,ip,el)
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_phenopowerlaw_postResults(S6,ipc,ip,el)
|
||||
plastic_isotropic_postResults(S6,ipc,ip,el)
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_phenopowerlaw_postResults(Mp,instance,of)
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_kinehardening_postResults(S6,ipc,ip,el)
|
||||
|
|
|
|||
|
|
@ -3777,8 +3777,8 @@ function crystallite_postResults(ipc, ip, el)
|
|||
c = c + 1_pInt
|
||||
if (size(crystallite_postResults)-c > 0_pInt) &
|
||||
crystallite_postResults(c+1:size(crystallite_postResults)) = &
|
||||
constitutive_postResults(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe, &
|
||||
ipc, ip, el)
|
||||
constitutive_postResults(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fi(1:3,1:3,ipc,ip,el), &
|
||||
crystallite_Fe, ipc, ip, el)
|
||||
|
||||
end function crystallite_postResults
|
||||
|
||||
|
|
|
|||
|
|
@ -942,10 +942,10 @@ pure function homogenization_RGC_postResults(ip,el,avgP,avgF)
|
|||
do o = 1_pInt,homogenization_Noutput(mesh_element(3,el))
|
||||
select case(homogenization_RGC_outputID(o,homID))
|
||||
case (avgdefgrad_ID)
|
||||
homogenization_RGC_postResults(c+1_pInt:c+9_pInt) = reshape(avgF,[9])
|
||||
homogenization_RGC_postResults(c+1_pInt:c+9_pInt) = reshape(transpose(avgF),[9])
|
||||
c = c + 9_pInt
|
||||
case (avgfirstpiola_ID)
|
||||
homogenization_RGC_postResults(c+1_pInt:c+9_pInt) = reshape(avgP,[9])
|
||||
homogenization_RGC_postResults(c+1_pInt:c+9_pInt) = reshape(transpose(avgP),[9])
|
||||
c = c + 9_pInt
|
||||
case (ipcoords_ID)
|
||||
homogenization_RGC_postResults(c+1_pInt:c+3_pInt) = mesh_ipCoordinates(1:3,ip,el) ! current ip coordinates
|
||||
|
|
|
|||
|
|
@ -300,10 +300,10 @@ pure function homogenization_isostrain_postResults(ip,el,avgP,avgF)
|
|||
homogenization_isostrain_postResults(c+1_pInt) = real(homogenization_isostrain_Ngrains(homID),pReal)
|
||||
c = c + 1_pInt
|
||||
case (avgdefgrad_ID)
|
||||
homogenization_isostrain_postResults(c+1_pInt:c+9_pInt) = reshape(avgF,[9])
|
||||
homogenization_isostrain_postResults(c+1_pInt:c+9_pInt) = reshape(transpose(avgF),[9])
|
||||
c = c + 9_pInt
|
||||
case (avgfirstpiola_ID)
|
||||
homogenization_isostrain_postResults(c+1_pInt:c+9_pInt) = reshape(avgP,[9])
|
||||
homogenization_isostrain_postResults(c+1_pInt:c+9_pInt) = reshape(transpose(avgP),[9])
|
||||
c = c + 9_pInt
|
||||
case (ipcoords_ID)
|
||||
homogenization_isostrain_postResults(c+1_pInt:c+3_pInt) = mesh_ipCoordinates(1:3,ip,el) ! current ip coordinates
|
||||
|
|
|
|||
981
src/lattice.f90
981
src/lattice.f90
File diff suppressed because it is too large
Load Diff
|
|
@ -169,6 +169,7 @@ module material
|
|||
homogenization_maxNgrains !< max number of grains in any USED homogenization
|
||||
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt)
|
||||
phase_Nsources, & !< number of source mechanisms active in each phase
|
||||
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
|
||||
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
|
||||
|
|
@ -199,8 +200,10 @@ module material
|
|||
|
||||
integer(pInt), dimension(:,:,:), allocatable, public :: &
|
||||
material_phase !< phase (index) of each grain,IP,element
|
||||
! BEGIN DEPRECATED: use material_homogenizationAt
|
||||
integer(pInt), dimension(:,:), allocatable, public :: &
|
||||
material_homog !< homogenization (index) of each IP,element
|
||||
! END DEPRECATED
|
||||
type(tPlasticState), allocatable, dimension(:), public :: &
|
||||
plasticState
|
||||
type(tSourceState), allocatable, dimension(:), public :: &
|
||||
|
|
@ -362,10 +365,10 @@ subroutine material_init()
|
|||
phase_name, &
|
||||
texture_name
|
||||
use mesh, only: &
|
||||
mesh_homogenizationAt, &
|
||||
mesh_NipsPerElem, &
|
||||
mesh_maxNips, &
|
||||
mesh_NcpElems, &
|
||||
mesh_element, &
|
||||
FE_Nips, &
|
||||
FE_geomtype
|
||||
|
||||
implicit none
|
||||
|
|
@ -480,11 +483,11 @@ subroutine material_init()
|
|||
allocate(CrystallitePosition (size(config_phase)), source=0_pInt)
|
||||
|
||||
ElemLoop:do e = 1_pInt,mesh_NcpElems
|
||||
myHomog = mesh_element(3,e)
|
||||
IPloop:do i = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,e)))
|
||||
myHomog = mesh_homogenizationAt(e)
|
||||
IPloop:do i = 1_pInt, mesh_NipsPerElem
|
||||
HomogenizationPosition(myHomog) = HomogenizationPosition(myHomog) + 1_pInt
|
||||
mappingHomogenization(1:2,i,e) = [HomogenizationPosition(myHomog),myHomog]
|
||||
GrainLoop:do g = 1_pInt,homogenization_Ngrains(mesh_element(3,e))
|
||||
GrainLoop:do g = 1_pInt,homogenization_Ngrains(myHomog)
|
||||
phase = material_phase(g,i,e)
|
||||
ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt ! not distinguishing between instances of same phase
|
||||
phaseAt(g,i,e) = phase
|
||||
|
|
@ -519,10 +522,10 @@ end subroutine material_init
|
|||
subroutine material_parseHomogenization
|
||||
use config, only : &
|
||||
config_homogenization
|
||||
use mesh, only: &
|
||||
mesh_homogenizationAt
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
|
||||
implicit none
|
||||
integer(pInt) :: h
|
||||
|
|
@ -549,7 +552,8 @@ subroutine material_parseHomogenization
|
|||
allocate(porosity_initialPhi(size(config_homogenization)), source=1.0_pReal)
|
||||
allocate(hydrogenflux_initialCh(size(config_homogenization)), source=0.0_pReal)
|
||||
|
||||
forall (h = 1_pInt:size(config_homogenization)) homogenization_active(h) = any(mesh_element(3,:) == h)
|
||||
forall (h = 1_pInt:size(config_homogenization)) &
|
||||
homogenization_active(h) = any(mesh_homogenizationAt == h)
|
||||
|
||||
|
||||
do h=1_pInt, size(config_homogenization)
|
||||
|
|
@ -685,7 +689,7 @@ subroutine material_parseMicrostructure
|
|||
config_microstructure, &
|
||||
microstructure_name
|
||||
use mesh, only: &
|
||||
mesh_element, &
|
||||
mesh_microstructureAt, &
|
||||
mesh_NcpElems
|
||||
|
||||
implicit none
|
||||
|
|
@ -701,10 +705,11 @@ subroutine material_parseMicrostructure
|
|||
allocate(microstructure_active(size(config_microstructure)), source=.false.)
|
||||
allocate(microstructure_elemhomo(size(config_microstructure)), source=.false.)
|
||||
|
||||
if(any(mesh_element(4,1:mesh_NcpElems) > size(config_microstructure))) &
|
||||
if(any(mesh_microstructureAt > size(config_microstructure))) &
|
||||
call IO_error(155_pInt,ext_msg='More microstructures in geometry than sections in material.config')
|
||||
|
||||
forall (e = 1_pInt:mesh_NcpElems) microstructure_active(mesh_element(4,e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
|
||||
forall (e = 1_pInt:mesh_NcpElems) &
|
||||
microstructure_active(mesh_microstructureAt(e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
|
||||
|
||||
do m=1_pInt, size(config_microstructure)
|
||||
microstructure_Nconstituents(m) = config_microstructure(m)%countKeys('(constituent)')
|
||||
|
|
@ -1082,11 +1087,13 @@ subroutine material_populateGrains
|
|||
math_sampleFiberOri, &
|
||||
math_symmetricEulers
|
||||
use mesh, only: &
|
||||
mesh_element, &
|
||||
mesh_NipsPerElem, &
|
||||
mesh_elemType, &
|
||||
mesh_homogenizationAt, &
|
||||
mesh_microstructureAt, &
|
||||
mesh_maxNips, &
|
||||
mesh_NcpElems, &
|
||||
mesh_ipVolume, &
|
||||
FE_Nips, &
|
||||
FE_geomtype
|
||||
use config, only: &
|
||||
config_homogenization, &
|
||||
|
|
@ -1127,6 +1134,7 @@ subroutine material_populateGrains
|
|||
allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
|
||||
allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_homog(mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_homogenizationAt,source=mesh_homogenizationAt)
|
||||
allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
|
||||
|
||||
|
|
@ -1136,14 +1144,14 @@ subroutine material_populateGrains
|
|||
! populating homogenization schemes in each
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
do e = 1_pInt, mesh_NcpElems
|
||||
material_homog(1_pInt:FE_Nips(FE_geomtype(mesh_element(2,e))),e) = mesh_element(3,e)
|
||||
material_homog(1_pInt:mesh_NipsPerElem,e) = mesh_homogenizationAt(e)
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! precounting of elements for each homog/micro pair
|
||||
do e = 1_pInt, mesh_NcpElems
|
||||
homog = mesh_element(3,e)
|
||||
micro = mesh_element(4,e)
|
||||
homog = mesh_homogenizationAt(e)
|
||||
micro = mesh_microstructureAt(e)
|
||||
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
|
||||
enddo
|
||||
allocate(elemsOfHomogMicro(size(config_homogenization),size(config_microstructure)))
|
||||
|
|
@ -1160,9 +1168,9 @@ subroutine material_populateGrains
|
|||
! identify maximum grain count per IP (from element) and find grains per homog/micro pair
|
||||
Nelems = 0_pInt ! reuse as counter
|
||||
elementLooping: do e = 1_pInt,mesh_NcpElems
|
||||
t = FE_geomtype(mesh_element(2,e))
|
||||
homog = mesh_element(3,e)
|
||||
micro = mesh_element(4,e)
|
||||
t = mesh_elemType
|
||||
homog = mesh_homogenizationAt(e)
|
||||
micro = mesh_microstructureAt(e)
|
||||
if (homog < 1_pInt .or. homog > size(config_homogenization)) & ! out of bounds
|
||||
call IO_error(154_pInt,e,0_pInt,0_pInt)
|
||||
if (micro < 1_pInt .or. micro > size(config_microstructure)) & ! out of bounds
|
||||
|
|
@ -1170,7 +1178,7 @@ subroutine material_populateGrains
|
|||
if (microstructure_elemhomo(micro)) then ! how many grains are needed at this element?
|
||||
dGrains = homogenization_Ngrains(homog) ! only one set of Ngrains (other IPs are plain copies)
|
||||
else
|
||||
dGrains = homogenization_Ngrains(homog) * FE_Nips(t) ! each IP has Ngrains
|
||||
dGrains = homogenization_Ngrains(homog) * mesh_NipsPerElem ! each IP has Ngrains
|
||||
endif
|
||||
Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains ! total grain count
|
||||
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt ! total element count
|
||||
|
|
@ -1204,16 +1212,16 @@ subroutine material_populateGrains
|
|||
|
||||
do hme = 1_pInt, Nelems(homog,micro)
|
||||
e = elemsOfHomogMicro(homog,micro)%p(hme) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
|
||||
t = FE_geomtype(mesh_element(2,e))
|
||||
t = mesh_elemType
|
||||
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
||||
volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:FE_Nips(t),e))/&
|
||||
volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:mesh_NipsPerElem,e))/&
|
||||
real(dGrains,pReal) ! each grain combines size of all IPs in that element
|
||||
grain = grain + dGrains ! wind forward by Ngrains@IP
|
||||
else
|
||||
forall (i = 1_pInt:FE_Nips(t)) & ! loop over IPs
|
||||
forall (i = 1_pInt:mesh_NipsPerElem) & ! loop over IPs
|
||||
volumeOfGrain(grain+(i-1)*dGrains+1_pInt:grain+i*dGrains) = &
|
||||
mesh_ipVolume(i,e)/real(dGrains,pReal) ! assign IPvolume/Ngrains@IP to all grains of IP
|
||||
grain = grain + FE_Nips(t) * dGrains ! wind forward by Nips*Ngrains@IP
|
||||
grain = grain + mesh_NipsPerElem * dGrains ! wind forward by Nips*Ngrains@IP
|
||||
endif
|
||||
enddo
|
||||
|
||||
|
|
@ -1367,11 +1375,11 @@ subroutine material_populateGrains
|
|||
|
||||
do hme = 1_pInt, Nelems(homog,micro)
|
||||
e = elemsOfHomogMicro(homog,micro)%p(hme) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
|
||||
t = FE_geomtype(mesh_element(2,e))
|
||||
t = mesh_elemType
|
||||
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
||||
m = 1_pInt ! process only first IP
|
||||
else
|
||||
m = FE_Nips(t) ! process all IPs
|
||||
m = mesh_NipsPerElem
|
||||
endif
|
||||
|
||||
do i = 1_pInt, m ! loop over necessary IPs
|
||||
|
|
@ -1409,7 +1417,7 @@ subroutine material_populateGrains
|
|||
|
||||
enddo
|
||||
|
||||
do i = i, FE_Nips(t) ! loop over IPs to (possibly) distribute copies from first IP
|
||||
do i = i, mesh_NipsPerElem ! loop over IPs to (possibly) distribute copies from first IP
|
||||
material_volume (1_pInt:dGrains,i,e) = material_volume (1_pInt:dGrains,1,e)
|
||||
material_phase (1_pInt:dGrains,i,e) = material_phase (1_pInt:dGrains,1,e)
|
||||
material_texture(1_pInt:dGrains,i,e) = material_texture(1_pInt:dGrains,1,e)
|
||||
|
|
|
|||
320
src/mesh.f90
320
src/mesh.f90
|
|
@ -3,7 +3,6 @@
|
|||
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Christoph Koords, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Krishna Komerla, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief Sets up the mesh for the solvers MSC.Marc, Abaqus and the spectral solver
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module mesh
|
||||
|
|
@ -14,35 +13,27 @@ module mesh
|
|||
private
|
||||
integer(pInt), public, protected :: &
|
||||
mesh_NcpElems, & !< total number of CP elements in local mesh
|
||||
mesh_NelemSets, &
|
||||
mesh_maxNelemInSet, &
|
||||
mesh_Nmaterials, &
|
||||
mesh_elemType, & !< Element type of the mesh (only support homogeneous meshes)
|
||||
mesh_Nnodes, & !< total number of nodes in mesh
|
||||
mesh_Ncellnodes, & !< total number of cell nodes in mesh (including duplicates)
|
||||
mesh_Ncells, & !< total number of cells in mesh
|
||||
mesh_maxNnodes, & !< max number of nodes in any CP element
|
||||
mesh_maxNips, & !< max number of IPs in any CP element
|
||||
mesh_NipsPerElem, & !< number of IPs in per element
|
||||
mesh_NcellnodesPerElem, & !< number of cell nodes per element
|
||||
mesh_maxNipNeighbors, & !< max number of IP neighbors in any CP element
|
||||
mesh_maxNsharedElems, & !< max number of CP elements sharing a node
|
||||
mesh_maxNcellnodes, & !< max number of cell nodes in any CP element
|
||||
mesh_Nelems !< total number of elements in mesh
|
||||
|
||||
#ifdef Spectral
|
||||
integer(pInt), dimension(3), public, protected :: &
|
||||
grid !< (global) grid
|
||||
mesh_maxNsharedElems !< max number of CP elements sharing a node
|
||||
!!!! BEGIN DEPRECATED !!!!!
|
||||
integer(pInt), public, protected :: &
|
||||
mesh_NcpElemsGlobal, & !< total number of CP elements in global mesh
|
||||
grid3, & !< (local) grid in 3rd direction
|
||||
grid3Offset !< (local) grid offset in 3rd direction
|
||||
real(pReal), dimension(3), public, protected :: &
|
||||
geomSize
|
||||
real(pReal), public, protected :: &
|
||||
size3, & !< (local) size in 3rd direction
|
||||
size3offset !< (local) size offset in 3rd direction
|
||||
#endif
|
||||
mesh_maxNips, & !< max number of IPs in any CP element
|
||||
mesh_maxNcellnodes !< max number of cell nodes in any CP element
|
||||
!!!! BEGIN DEPRECATED !!!!!
|
||||
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
mesh_homogenizationAt, & !< homogenization ID of each element
|
||||
mesh_microstructureAt !< microstructure ID of each element
|
||||
|
||||
integer(pInt), dimension(:,:), allocatable, public, protected :: &
|
||||
mesh_element, & !< FEid, type(internal representation), material, texture, node indices as CP IDs
|
||||
mesh_CPnodeID, & !< nodes forming an element
|
||||
mesh_element, & !DEPRECATED
|
||||
mesh_sharedElem, & !< entryCount and list of elements containing node
|
||||
mesh_nodeTwins !< node twins are surface nodes that lie exactly on opposite sides of the mesh (surfaces nodes with equal coordinate values in two dimensions)
|
||||
|
||||
|
|
@ -71,36 +62,18 @@ module mesh
|
|||
|
||||
logical, dimension(3), public, protected :: mesh_periodicSurface !< flag indicating periodic outer surfaces (used for fluxes)
|
||||
|
||||
#ifdef Marc4DAMASK
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
integer(pInt), private :: &
|
||||
MarcVersion, & !< Version of input file format (Marc only)
|
||||
hypoelasticTableStyle, & !< Table style (Marc only)
|
||||
initialcondTableStyle !< Table style (Marc only)
|
||||
integer(pInt), dimension(:), allocatable, private :: &
|
||||
Marc_matNumber !< array of material numbers for hypoelastic material (Marc only)
|
||||
mesh_maxNelemInSet, &
|
||||
mesh_Nmaterials
|
||||
#endif
|
||||
|
||||
integer(pInt), dimension(2), private :: &
|
||||
mesh_maxValStateVar = 0_pInt
|
||||
|
||||
#ifndef Spectral
|
||||
character(len=64), dimension(:), allocatable, private :: &
|
||||
mesh_nameElemSet, & !< names of elementSet
|
||||
mesh_nameMaterial, & !< names of material in solid section
|
||||
mesh_mapMaterial !< name of elementSet for material
|
||||
|
||||
integer(pInt), dimension(:,:), allocatable, private :: &
|
||||
mesh_mapElemSet !< list of elements in elementSet
|
||||
#endif
|
||||
integer(pInt), dimension(:,:), allocatable, private :: &
|
||||
integer(pInt), dimension(:,:), allocatable, private :: &
|
||||
mesh_cellnodeParent !< cellnode's parent element ID, cellnode's intra-element ID
|
||||
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
integer(pInt), dimension(:,:), allocatable, target, private :: &
|
||||
mesh_mapFEtoCPelem, & !< [sorted FEid, corresponding CPid]
|
||||
mesh_mapFEtoCPnode !< [sorted FEid, corresponding CPid]
|
||||
#endif
|
||||
|
||||
integer(pInt),dimension(:,:,:), allocatable, private :: &
|
||||
mesh_cell !< cell connectivity for each element,ip/cell
|
||||
|
||||
|
|
@ -116,10 +89,6 @@ module mesh
|
|||
integer(pInt), dimension(:,:,:,:), allocatable, private :: &
|
||||
FE_subNodeOnIPFace
|
||||
|
||||
#ifdef Abaqus
|
||||
logical, private :: noPart !< for cases where the ABAQUS input file does not use part/assembly information
|
||||
#endif
|
||||
|
||||
! These definitions should actually reside in the FE-solver specific part (different for MARC/ABAQUS)
|
||||
! Hence, I suggest to prefix with "FE_"
|
||||
|
||||
|
|
@ -375,60 +344,81 @@ module mesh
|
|||
4 & ! element 21 (3D 20node 27ip)
|
||||
],pInt)
|
||||
|
||||
|
||||
! integer(pInt), dimension(FE_Nelemtypes), parameter, private :: MESH_VTKELEMTYPE = &
|
||||
! int([ &
|
||||
! 5, & ! element 6 (2D 3node 1ip)
|
||||
! 22, & ! element 125 (2D 6node 3ip)
|
||||
! 9, & ! element 11 (2D 4node 4ip)
|
||||
! 23, & ! element 27 (2D 8node 9ip)
|
||||
! 23, & ! element 54 (2D 8node 4ip)
|
||||
! 10, & ! element 134 (3D 4node 1ip)
|
||||
! 10, & ! element 157 (3D 5node 4ip)
|
||||
! 24, & ! element 127 (3D 10node 4ip)
|
||||
! 13, & ! element 136 (3D 6node 6ip)
|
||||
! 12, & ! element 117 (3D 8node 1ip)
|
||||
! 12, & ! element 7 (3D 8node 8ip)
|
||||
! 25, & ! element 57 (3D 20node 8ip)
|
||||
! 25 & ! element 21 (3D 20node 27ip)
|
||||
! ],pInt)
|
||||
!
|
||||
! integer(pInt), dimension(FE_Ncelltypes), parameter, private :: MESH_VTKCELLTYPE = &
|
||||
! int([ &
|
||||
! 5, & ! (2D 3node)
|
||||
! 9, & ! (2D 4node)
|
||||
! 10, & ! (3D 4node)
|
||||
! 12 & ! (3D 8node)
|
||||
! ],pInt)
|
||||
|
||||
#if defined(Spectral)
|
||||
integer(pInt), dimension(3), public, protected :: &
|
||||
grid !< (global) grid
|
||||
integer(pInt), public, protected :: &
|
||||
mesh_NcpElemsGlobal, & !< total number of CP elements in global mesh
|
||||
grid3, & !< (local) grid in 3rd direction
|
||||
grid3Offset !< (local) grid offset in 3rd direction
|
||||
real(pReal), dimension(3), public, protected :: &
|
||||
geomSize
|
||||
real(pReal), public, protected :: &
|
||||
size3, & !< (local) size in 3rd direction
|
||||
size3offset !< (local) size offset in 3rd direction
|
||||
#elif defined(Marc4DAMASK) || defined(Abaqus)
|
||||
integer(pInt), private :: &
|
||||
mesh_Nelems, & !< total number of elements in mesh (including non-DAMASK elements)
|
||||
mesh_maxNnodes, & !< max number of nodes in any CP element
|
||||
mesh_NelemSets
|
||||
character(len=64), dimension(:), allocatable, private :: &
|
||||
mesh_nameElemSet, & !< names of elementSet
|
||||
mesh_nameMaterial, & !< names of material in solid section
|
||||
mesh_mapMaterial !< name of elementSet for material
|
||||
integer(pInt), dimension(:,:), allocatable, private :: &
|
||||
mesh_mapElemSet !< list of elements in elementSet
|
||||
integer(pInt), dimension(:,:), allocatable, target, private :: &
|
||||
mesh_mapFEtoCPelem, & !< [sorted FEid, corresponding CPid]
|
||||
mesh_mapFEtoCPnode !< [sorted FEid, corresponding CPid]
|
||||
#endif
|
||||
#if defined(Marc4DAMASK)
|
||||
integer(pInt), private :: &
|
||||
MarcVersion, & !< Version of input file format (Marc only)
|
||||
hypoelasticTableStyle, & !< Table style (Marc only)
|
||||
initialcondTableStyle !< Table style (Marc only)
|
||||
integer(pInt), dimension(:), allocatable, private :: &
|
||||
Marc_matNumber !< array of material numbers for hypoelastic material (Marc only)
|
||||
#elif defined(Abaqus)
|
||||
logical, private :: noPart !< for cases where the ABAQUS input file does not use part/assembly information
|
||||
#endif
|
||||
|
||||
public :: &
|
||||
mesh_init, &
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
mesh_FEasCP, &
|
||||
#endif
|
||||
mesh_build_cellnodes, &
|
||||
mesh_build_ipVolumes, &
|
||||
mesh_build_ipCoordinates, &
|
||||
mesh_cellCenterCoordinates, &
|
||||
mesh_get_Ncellnodes, &
|
||||
mesh_get_unitlength, &
|
||||
mesh_get_nodeAtIP
|
||||
#ifdef Spectral
|
||||
public :: &
|
||||
mesh_get_nodeAtIP, &
|
||||
#if defined(Spectral)
|
||||
mesh_spectral_getGrid, &
|
||||
mesh_spectral_getSize
|
||||
#elif defined(Marc4DAMASK) || defined(Abaqus)
|
||||
mesh_FEasCP
|
||||
#endif
|
||||
|
||||
private :: &
|
||||
#ifdef Spectral
|
||||
mesh_get_damaskOptions, &
|
||||
mesh_build_cellconnectivity, &
|
||||
mesh_build_ipAreas, &
|
||||
mesh_tell_statistics, &
|
||||
FE_mapElemtype, &
|
||||
mesh_faceMatch, &
|
||||
mesh_build_FEdata, &
|
||||
#if defined(Spectral)
|
||||
mesh_spectral_getHomogenization, &
|
||||
mesh_spectral_count, &
|
||||
mesh_spectral_count_cpSizes, &
|
||||
mesh_spectral_build_nodes, &
|
||||
mesh_spectral_build_elements, &
|
||||
mesh_spectral_build_ipNeighborhood, &
|
||||
#elif defined Marc4DAMASK
|
||||
mesh_spectral_build_ipNeighborhood
|
||||
#elif defined(Marc4DAMASK) || defined(Abaqus)
|
||||
mesh_build_nodeTwins, &
|
||||
mesh_build_sharedElems, &
|
||||
mesh_build_ipNeighborhood, &
|
||||
#endif
|
||||
#if defined(Marc4DAMASK)
|
||||
mesh_marc_get_fileFormat, &
|
||||
mesh_marc_get_tableStyles, &
|
||||
mesh_marc_get_matNumber, &
|
||||
|
|
@ -440,8 +430,8 @@ module mesh
|
|||
mesh_marc_map_nodes, &
|
||||
mesh_marc_build_nodes, &
|
||||
mesh_marc_count_cpSizes, &
|
||||
mesh_marc_build_elements, &
|
||||
#elif defined Abaqus
|
||||
mesh_marc_build_elements
|
||||
#elif defined(Abaqus)
|
||||
mesh_abaqus_count_nodesAndElements, &
|
||||
mesh_abaqus_count_elementSets, &
|
||||
mesh_abaqus_count_materials, &
|
||||
|
|
@ -452,20 +442,8 @@ module mesh
|
|||
mesh_abaqus_map_nodes, &
|
||||
mesh_abaqus_build_nodes, &
|
||||
mesh_abaqus_count_cpSizes, &
|
||||
mesh_abaqus_build_elements, &
|
||||
mesh_abaqus_build_elements
|
||||
#endif
|
||||
#ifndef Spectral
|
||||
mesh_build_nodeTwins, &
|
||||
mesh_build_sharedElems, &
|
||||
mesh_build_ipNeighborhood, &
|
||||
#endif
|
||||
mesh_get_damaskOptions, &
|
||||
mesh_build_cellconnectivity, &
|
||||
mesh_build_ipAreas, &
|
||||
mesh_tell_statistics, &
|
||||
FE_mapElemtype, &
|
||||
mesh_faceMatch, &
|
||||
mesh_build_FEdata
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -509,12 +487,12 @@ subroutine mesh_init(ip,el)
|
|||
numerics_unitlength, &
|
||||
worldrank
|
||||
use FEsolving, only: &
|
||||
FEsolving_execElem, &
|
||||
#ifndef Spectral
|
||||
modelName, &
|
||||
calcMode, &
|
||||
#endif
|
||||
FEsolving_execIP, &
|
||||
calcMode
|
||||
FEsolving_execElem, &
|
||||
FEsolving_execIP
|
||||
|
||||
implicit none
|
||||
#ifdef Spectral
|
||||
|
|
@ -523,7 +501,7 @@ subroutine mesh_init(ip,el)
|
|||
integer :: ierr, worldsize
|
||||
#endif
|
||||
integer(pInt), parameter :: FILEUNIT = 222_pInt
|
||||
integer(pInt), intent(in) :: el, ip
|
||||
integer(pInt), intent(in), optional :: el, ip
|
||||
integer(pInt) :: j
|
||||
logical :: myDebug
|
||||
|
||||
|
|
@ -546,8 +524,12 @@ subroutine mesh_init(ip,el)
|
|||
if(worldsize>grid(3)) call IO_error(894_pInt, ext_msg='number of processes exceeds grid(3)')
|
||||
|
||||
geomSize = mesh_spectral_getSize(fileUnit)
|
||||
devNull = fftw_mpi_local_size_3d(int(grid(3),C_INTPTR_T),int(grid(2),C_INTPTR_T),&
|
||||
int(grid(1),C_INTPTR_T)/2+1,PETSC_COMM_WORLD,local_K,local_K_offset)
|
||||
devNull = fftw_mpi_local_size_3d(int(grid(3),C_INTPTR_T), &
|
||||
int(grid(2),C_INTPTR_T), &
|
||||
int(grid(1),C_INTPTR_T)/2+1, &
|
||||
PETSC_COMM_WORLD, &
|
||||
local_K, & ! domain grid size along z
|
||||
local_K_offset) ! domain grid offset along z
|
||||
grid3 = int(local_K,pInt)
|
||||
grid3Offset = int(local_K_offset,pInt)
|
||||
size3 = geomSize(3)*real(grid3,pReal) /real(grid(3),pReal)
|
||||
|
|
@ -647,25 +629,36 @@ subroutine mesh_init(ip,el)
|
|||
call mesh_tell_statistics
|
||||
endif
|
||||
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
if (usePingPong .and. (mesh_Nelems /= mesh_NcpElems)) &
|
||||
call IO_error(600_pInt) ! ping-pong must be disabled when having non-DAMASK elements
|
||||
#endif
|
||||
if (debug_e < 1 .or. debug_e > mesh_NcpElems) &
|
||||
call IO_error(602_pInt,ext_msg='element') ! selected element does not exist
|
||||
if (debug_i < 1 .or. debug_i > FE_Nips(FE_geomtype(mesh_element(2_pInt,debug_e)))) &
|
||||
call IO_error(602_pInt,ext_msg='IP') ! selected element does not have requested IP
|
||||
|
||||
FEsolving_execElem = [ 1_pInt,mesh_NcpElems ] ! parallel loop bounds set to comprise all DAMASK elements
|
||||
allocate(FEsolving_execIP(2_pInt,mesh_NcpElems)); FEsolving_execIP = 1_pInt ! parallel loop bounds set to comprise from first IP...
|
||||
allocate(FEsolving_execIP(2_pInt,mesh_NcpElems), source=1_pInt) ! parallel loop bounds set to comprise from first IP...
|
||||
forall (j = 1_pInt:mesh_NcpElems) FEsolving_execIP(2,j) = FE_Nips(FE_geomtype(mesh_element(2,j))) ! ...up to own IP count for each element
|
||||
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
allocate(calcMode(mesh_maxNips,mesh_NcpElems))
|
||||
calcMode = .false. ! pretend to have collected what first call is asking (F = I)
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
calcMode(ip,mesh_FEasCP('elem',el)) = .true. ! first ip,el needs to be already pingponged to "calc"
|
||||
#else
|
||||
calcMode(ip,el) = .true. ! first ip,el needs to be already pingponged to "calc"
|
||||
#endif
|
||||
|
||||
!!!! COMPATIBILITY HACK !!!!
|
||||
! for a homogeneous mesh, all elements have the same number of IPs and and cell nodes.
|
||||
! hence, xxPerElem instead of maxXX
|
||||
mesh_NipsPerElem = mesh_maxNips
|
||||
mesh_NcellnodesPerElem = mesh_maxNcellnodes
|
||||
! better name
|
||||
mesh_homogenizationAt = mesh_element(3,:)
|
||||
mesh_microstructureAt = mesh_element(4,:)
|
||||
mesh_CPnodeID = mesh_element(5:4+mesh_NipsPerElem,:)
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
|
||||
end subroutine mesh_init
|
||||
|
||||
|
||||
|
|
@ -1184,8 +1177,7 @@ subroutine mesh_spectral_count()
|
|||
|
||||
implicit none
|
||||
|
||||
mesh_Nelems = product(grid(1:2))*grid3
|
||||
mesh_NcpElems= mesh_Nelems
|
||||
mesh_NcpElems= product(grid(1:2))*grid3
|
||||
mesh_Nnodes = product(grid(1:2) + 1_pInt)*(grid3 + 1_pInt)
|
||||
|
||||
mesh_NcpElemsGlobal = product(grid)
|
||||
|
|
@ -1195,7 +1187,7 @@ end subroutine mesh_spectral_count
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Gets maximum count of nodes, IPs, IP neighbors, and subNodes among cpElements.
|
||||
!! Sets global values 'mesh_maxNnodes', 'mesh_maxNips', 'mesh_maxNipNeighbors',
|
||||
!! Sets global values 'mesh_maxNips', 'mesh_maxNipNeighbors',
|
||||
!! and 'mesh_maxNcellnodes'
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_spectral_count_cpSizes
|
||||
|
|
@ -1207,7 +1199,6 @@ subroutine mesh_spectral_count_cpSizes
|
|||
g = FE_geomtype(t)
|
||||
c = FE_celltype(g)
|
||||
|
||||
mesh_maxNnodes = FE_Nnodes(t)
|
||||
mesh_maxNips = FE_Nips(g)
|
||||
mesh_maxNipNeighbors = FE_NipNeighbors(c)
|
||||
mesh_maxNcellnodes = FE_Ncellnodes(g)
|
||||
|
|
@ -1268,13 +1259,13 @@ subroutine mesh_spectral_build_elements(fileUnit)
|
|||
integer(pInt) :: &
|
||||
e, i, &
|
||||
headerLength = 0_pInt, &
|
||||
maxIntCount, &
|
||||
maxDataPerLine, &
|
||||
homog, &
|
||||
elemType, &
|
||||
elemOffset
|
||||
integer(pInt), dimension(:), allocatable :: &
|
||||
microstructures, &
|
||||
mesh_microGlobal
|
||||
microGlobal
|
||||
integer(pInt), dimension(1,1) :: &
|
||||
dummySet = 0_pInt
|
||||
character(len=65536) :: &
|
||||
|
|
@ -1304,16 +1295,16 @@ subroutine mesh_spectral_build_elements(fileUnit)
|
|||
read(fileUnit,'(a65536)') line
|
||||
enddo
|
||||
|
||||
maxIntCount = 0_pInt
|
||||
maxDataPerLine = 0_pInt
|
||||
i = 1_pInt
|
||||
|
||||
do while (i > 0_pInt)
|
||||
i = IO_countContinuousIntValues(fileUnit)
|
||||
maxIntCount = max(maxIntCount, i)
|
||||
maxDataPerLine = max(maxDataPerLine, i) ! found a longer line?
|
||||
enddo
|
||||
allocate (mesh_element (4_pInt+mesh_maxNnodes,mesh_NcpElems), source = 0_pInt)
|
||||
allocate (microstructures (1_pInt+maxIntCount), source = 1_pInt)
|
||||
allocate (mesh_microGlobal(mesh_NcpElemsGlobal), source = 1_pInt)
|
||||
allocate(mesh_element (4_pInt+8_pInt,mesh_NcpElems), source = 0_pInt)
|
||||
allocate(microstructures (1_pInt+maxDataPerLine), source = 1_pInt) ! prepare to receive counter and max data size
|
||||
allocate(microGlobal (mesh_NcpElemsGlobal), source = 1_pInt)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! read in microstructures
|
||||
|
|
@ -1324,10 +1315,10 @@ subroutine mesh_spectral_build_elements(fileUnit)
|
|||
|
||||
e = 0_pInt
|
||||
do while (e < mesh_NcpElemsGlobal .and. microstructures(1) > 0_pInt) ! fill expected number of elements, stop at end of data (or blank line!)
|
||||
microstructures = IO_continuousIntValues(fileUnit,maxIntCount,dummyName,dummySet,0_pInt) ! get affected elements
|
||||
microstructures = IO_continuousIntValues(fileUnit,maxDataPerLine,dummyName,dummySet,0_pInt) ! get affected elements
|
||||
do i = 1_pInt,microstructures(1_pInt)
|
||||
e = e+1_pInt ! valid element entry
|
||||
mesh_microGlobal(e) = microstructures(1_pInt+i)
|
||||
microGlobal(e) = microstructures(1_pInt+i)
|
||||
enddo
|
||||
enddo
|
||||
|
||||
|
|
@ -1336,10 +1327,10 @@ subroutine mesh_spectral_build_elements(fileUnit)
|
|||
e = 0_pInt
|
||||
do while (e < mesh_NcpElems) ! fill expected number of elements, stop at end of data (or blank line!)
|
||||
e = e+1_pInt ! valid element entry
|
||||
mesh_element( 1,e) = e ! FE id
|
||||
mesh_element( 1,e) = -1_pInt ! DEPRECATED
|
||||
mesh_element( 2,e) = elemType ! elem type
|
||||
mesh_element( 3,e) = homog ! homogenization
|
||||
mesh_element( 4,e) = mesh_microGlobal(e+elemOffset) ! microstructure
|
||||
mesh_element( 4,e) = microGlobal(e+elemOffset) ! microstructure
|
||||
mesh_element( 5,e) = e + (e-1_pInt)/grid(1) + &
|
||||
((e-1_pInt)/(grid(1)*grid(2)))*(grid(1)+1_pInt) ! base node
|
||||
mesh_element( 6,e) = mesh_element(5,e) + 1_pInt
|
||||
|
|
@ -1715,8 +1706,8 @@ subroutine mesh_marc_map_elementSets(fileUnit)
|
|||
character(len=300) :: line
|
||||
integer(pInt) :: elemSet = 0_pInt
|
||||
|
||||
allocate (mesh_nameElemSet(mesh_NelemSets)) ; mesh_nameElemSet = ''
|
||||
allocate (mesh_mapElemSet(1_pInt+mesh_maxNelemInSet,mesh_NelemSets)) ; mesh_mapElemSet = 0_pInt
|
||||
allocate (mesh_nameElemSet(mesh_NelemSets)); mesh_nameElemSet = ''
|
||||
allocate (mesh_mapElemSet(1_pInt+mesh_maxNelemInSet,mesh_NelemSets), source=0_pInt)
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -1813,7 +1804,7 @@ subroutine mesh_marc_map_elements(fileUnit)
|
|||
integer(pInt), dimension (1_pInt+mesh_NcpElems) :: contInts
|
||||
integer(pInt) :: i,cpElem = 0_pInt
|
||||
|
||||
allocate (mesh_mapFEtoCPelem(2,mesh_NcpElems)) ; mesh_mapFEtoCPelem = 0_pInt
|
||||
allocate (mesh_mapFEtoCPelem(2,mesh_NcpElems), source = 0_pInt)
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -1883,7 +1874,7 @@ subroutine mesh_marc_map_nodes(fileUnit)
|
|||
integer(pInt), dimension (mesh_Nnodes) :: node_count
|
||||
integer(pInt) :: i
|
||||
|
||||
allocate (mesh_mapFEtoCPnode(2_pInt,mesh_Nnodes)) ; mesh_mapFEtoCPnode = 0_pInt
|
||||
allocate (mesh_mapFEtoCPnode(2_pInt,mesh_Nnodes),source=0_pInt)
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -1930,8 +1921,8 @@ subroutine mesh_marc_build_nodes(fileUnit)
|
|||
character(len=300) :: line
|
||||
integer(pInt) :: i,j,m
|
||||
|
||||
allocate ( mesh_node0 (3,mesh_Nnodes) ); mesh_node0 = 0.0_pReal
|
||||
allocate ( mesh_node (3,mesh_Nnodes) ); mesh_node = 0.0_pReal
|
||||
allocate ( mesh_node0 (3,mesh_Nnodes), source=0.0_pReal)
|
||||
allocate ( mesh_node (3,mesh_Nnodes), source=0.0_pReal)
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -2023,7 +2014,8 @@ subroutine mesh_marc_build_elements(fileUnit)
|
|||
IO_skipChunks, &
|
||||
IO_stringPos, &
|
||||
IO_intValue, &
|
||||
IO_continuousIntValues
|
||||
IO_continuousIntValues, &
|
||||
IO_error
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
|
@ -2034,7 +2026,8 @@ subroutine mesh_marc_build_elements(fileUnit)
|
|||
integer(pInt), dimension(1_pInt+mesh_NcpElems) :: contInts
|
||||
integer(pInt) :: i,j,t,sv,myVal,e,nNodesAlreadyRead
|
||||
|
||||
allocate (mesh_element(4_pInt+mesh_maxNnodes,mesh_NcpElems)) ; mesh_element = 0_pInt
|
||||
allocate(mesh_element(4_pInt+mesh_maxNnodes,mesh_NcpElems), source=0_pInt)
|
||||
mesh_elemType = -1_pInt
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -2049,8 +2042,11 @@ subroutine mesh_marc_build_elements(fileUnit)
|
|||
chunkPos = IO_stringPos(line)
|
||||
e = mesh_FEasCP('elem',IO_intValue(line,chunkPos,1_pInt))
|
||||
if (e /= 0_pInt) then ! disregard non CP elems
|
||||
mesh_element(1,e) = IO_IntValue (line,chunkPos,1_pInt) ! FE id
|
||||
t = FE_mapElemtype(IO_StringValue(line,chunkPos,2_pInt)) ! elem type
|
||||
mesh_element(1,e) = -1_pInt ! DEPRECATED
|
||||
t = FE_mapElemtype(IO_StringValue(line,chunkPos,2_pInt)) ! elem type
|
||||
if (mesh_elemType /= t .and. mesh_elemType /= -1_pInt) &
|
||||
call IO_error(191,el=t,ip=mesh_elemType)
|
||||
mesh_elemType = t
|
||||
mesh_element(2,e) = t
|
||||
nNodesAlreadyRead = 0_pInt
|
||||
do j = 1_pInt,chunkPos(1)-2_pInt
|
||||
|
|
@ -2280,8 +2276,8 @@ subroutine mesh_abaqus_map_elementSets(fileUnit)
|
|||
integer(pInt) :: elemSet = 0_pInt,i
|
||||
logical :: inPart = .false.
|
||||
|
||||
allocate (mesh_nameElemSet(mesh_NelemSets)) ; mesh_nameElemSet = ''
|
||||
allocate (mesh_mapElemSet(1_pInt+mesh_maxNelemInSet,mesh_NelemSets)) ; mesh_mapElemSet = 0_pInt
|
||||
allocate (mesh_nameElemSet(mesh_NelemSets)); mesh_nameElemSet = ''
|
||||
allocate (mesh_mapElemSet(1_pInt+mesh_maxNelemInSet,mesh_NelemSets),source=0_pInt)
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -2332,8 +2328,8 @@ subroutine mesh_abaqus_map_materials(fileUnit)
|
|||
logical :: inPart = .false.
|
||||
character(len=64) :: elemSetName,materialName
|
||||
|
||||
allocate (mesh_nameMaterial(mesh_Nmaterials)) ; mesh_nameMaterial = ''
|
||||
allocate (mesh_mapMaterial(mesh_Nmaterials)) ; mesh_mapMaterial = ''
|
||||
allocate (mesh_nameMaterial(mesh_Nmaterials)); mesh_nameMaterial = ''
|
||||
allocate (mesh_mapMaterial(mesh_Nmaterials)); mesh_mapMaterial = ''
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -2450,7 +2446,7 @@ subroutine mesh_abaqus_map_elements(fileUnit)
|
|||
logical :: materialFound = .false.
|
||||
character (len=64) materialName,elemSetName ! why limited to 64? ABAQUS?
|
||||
|
||||
allocate (mesh_mapFEtoCPelem(2,mesh_NcpElems)) ; mesh_mapFEtoCPelem = 0_pInt
|
||||
allocate (mesh_mapFEtoCPelem(2,mesh_NcpElems), source = 0_pInt)
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -2513,7 +2509,7 @@ subroutine mesh_abaqus_map_nodes(fileUnit)
|
|||
integer(pInt) :: i,c,cpNode = 0_pInt
|
||||
logical :: inPart = .false.
|
||||
|
||||
allocate (mesh_mapFEtoCPnode(2_pInt,mesh_Nnodes)) ; mesh_mapFEtoCPnode = 0_pInt
|
||||
allocate (mesh_mapFEtoCPnode(2_pInt,mesh_Nnodes), source=0_pInt)
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -2575,8 +2571,8 @@ subroutine mesh_abaqus_build_nodes(fileUnit)
|
|||
integer(pInt) :: i,j,m,c
|
||||
logical :: inPart
|
||||
|
||||
allocate ( mesh_node0 (3,mesh_Nnodes) ); mesh_node0 = 0.0_pReal
|
||||
allocate ( mesh_node (3,mesh_Nnodes) ); mesh_node = 0.0_pReal
|
||||
allocate ( mesh_node0 (3,mesh_Nnodes), source=0.0_pReal)
|
||||
allocate ( mesh_node (3,mesh_Nnodes), source=0.0_pReal)
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -2688,8 +2684,8 @@ subroutine mesh_abaqus_build_elements(fileUnit)
|
|||
IO_intValue, &
|
||||
IO_extractValue, &
|
||||
IO_floatValue, &
|
||||
IO_error, &
|
||||
IO_countDataLines
|
||||
IO_countDataLines, &
|
||||
IO_error
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
|
@ -2701,7 +2697,8 @@ subroutine mesh_abaqus_build_elements(fileUnit)
|
|||
character (len=64) :: materialName,elemSetName
|
||||
character(len=300) :: line
|
||||
|
||||
allocate (mesh_element (4_pInt+mesh_maxNnodes,mesh_NcpElems)) ; mesh_element = 0_pInt
|
||||
allocate(mesh_element (4_pInt+mesh_maxNnodes,mesh_NcpElems), source=0_pInt)
|
||||
mesh_elemType = -1_pInt
|
||||
|
||||
610 FORMAT(A300)
|
||||
|
||||
|
|
@ -2720,17 +2717,20 @@ subroutine mesh_abaqus_build_elements(fileUnit)
|
|||
IO_lc(IO_stringValue(line,chunkPos,2_pInt)) /= 'matrix' .and. &
|
||||
IO_lc(IO_stringValue(line,chunkPos,2_pInt)) /= 'response' ) &
|
||||
) then
|
||||
t = FE_mapElemtype(IO_extractValue(IO_lc(IO_stringValue(line,chunkPos,2_pInt)),'type')) ! remember elem type
|
||||
t = FE_mapElemtype(IO_extractValue(IO_lc(IO_stringValue(line,chunkPos,2_pInt)),'type')) ! remember elem type
|
||||
c = IO_countDataLines(fileUnit)
|
||||
do i = 1_pInt,c
|
||||
backspace(fileUnit)
|
||||
enddo
|
||||
do i = 1_pInt,c
|
||||
read (fileUnit,610,END=620) line
|
||||
chunkPos = IO_stringPos(line) ! limit to 64 nodes max
|
||||
chunkPos = IO_stringPos(line) ! limit to 64 nodes max
|
||||
e = mesh_FEasCP('elem',IO_intValue(line,chunkPos,1_pInt))
|
||||
if (e /= 0_pInt) then ! disregard non CP elems
|
||||
mesh_element(1,e) = IO_intValue(line,chunkPos,1_pInt) ! FE id
|
||||
if (e /= 0_pInt) then ! disregard non CP elems
|
||||
mesh_element(1,e) = -1_pInt ! DEPRECATED
|
||||
if (mesh_elemType /= t .and. mesh_elemType /= -1_pInt) &
|
||||
call IO_error(191,el=t,ip=mesh_elemType)
|
||||
mesh_elemType = t
|
||||
mesh_element(2,e) = t ! elem type
|
||||
nNodesAlreadyRead = 0_pInt
|
||||
do j = 1_pInt,chunkPos(1)-1_pInt
|
||||
|
|
@ -3010,7 +3010,7 @@ subroutine mesh_build_sharedElems
|
|||
myDim, & ! dimension index
|
||||
nodeTwin ! node twin in the specified dimension
|
||||
integer(pInt), dimension (mesh_Nnodes) :: node_count
|
||||
integer(pInt), dimension (:), allocatable :: node_seen
|
||||
integer(pInt), dimension(:), allocatable :: node_seen
|
||||
|
||||
allocate(node_seen(maxval(FE_NmatchingNodes)))
|
||||
|
||||
|
|
@ -3035,8 +3035,7 @@ subroutine mesh_build_sharedElems
|
|||
|
||||
mesh_maxNsharedElems = int(maxval(node_count),pInt) ! most shared node
|
||||
|
||||
allocate(mesh_sharedElem(1+mesh_maxNsharedElems,mesh_Nnodes))
|
||||
mesh_sharedElem = 0_pInt
|
||||
allocate(mesh_sharedElem(1+mesh_maxNsharedElems,mesh_Nnodes),source=0_pInt)
|
||||
|
||||
do e = 1_pInt,mesh_NcpElems
|
||||
g = FE_geomtype(mesh_element(2,e)) ! get elemGeomType
|
||||
|
|
@ -3258,7 +3257,7 @@ subroutine mesh_tell_statistics
|
|||
if (mesh_maxValStateVar(1) < 1_pInt) call IO_error(error_ID=170_pInt) ! no homogenization specified
|
||||
if (mesh_maxValStateVar(2) < 1_pInt) call IO_error(error_ID=180_pInt) ! no microstructure specified
|
||||
|
||||
allocate (mesh_HomogMicro(mesh_maxValStateVar(1),mesh_maxValStateVar(2))); mesh_HomogMicro = 0_pInt
|
||||
allocate (mesh_HomogMicro(mesh_maxValStateVar(1),mesh_maxValStateVar(2)),source = 0_pInt)
|
||||
do e = 1_pInt,mesh_NcpElems
|
||||
if (mesh_element(3,e) < 1_pInt) call IO_error(error_ID=170_pInt,el=e) ! no homogenization specified
|
||||
if (mesh_element(4,e) < 1_pInt) call IO_error(error_ID=180_pInt,el=e) ! no microstructure specified
|
||||
|
|
@ -3268,13 +3267,8 @@ subroutine mesh_tell_statistics
|
|||
!$OMP CRITICAL (write2out)
|
||||
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(/,a,/)') ' Input Parser: STATISTICS'
|
||||
write(6,*) mesh_Nelems, ' : total number of elements in mesh'
|
||||
write(6,*) mesh_NcpElems, ' : total number of CP elements in mesh'
|
||||
write(6,*) mesh_Nnodes, ' : total number of nodes in mesh'
|
||||
write(6,*) mesh_maxNnodes, ' : max number of nodes in any CP element'
|
||||
write(6,*) mesh_maxNips, ' : max number of IPs in any CP element'
|
||||
write(6,*) mesh_maxNipNeighbors, ' : max number of IP neighbors in any CP element'
|
||||
write(6,*) mesh_maxNsharedElems, ' : max number of CP elements sharing a node'
|
||||
write(6,'(/,a,/)') ' Input Parser: HOMOGENIZATION/MICROSTRUCTURE'
|
||||
write(6,*) mesh_maxValStateVar(1), ' : maximum homogenization index'
|
||||
write(6,*) mesh_maxValStateVar(2), ' : maximum microstructure index'
|
||||
|
|
@ -3527,11 +3521,11 @@ subroutine mesh_build_FEdata
|
|||
|
||||
implicit none
|
||||
integer(pInt) :: me
|
||||
allocate(FE_nodesAtIP(FE_maxmaxNnodesAtIP,FE_maxNips,FE_Ngeomtypes)); FE_nodesAtIP = 0_pInt
|
||||
allocate(FE_ipNeighbor(FE_maxNipNeighbors,FE_maxNips,FE_Ngeomtypes)); FE_ipNeighbor = 0_pInt
|
||||
allocate(FE_cell(FE_maxNcellnodesPerCell,FE_maxNips,FE_Ngeomtypes)); FE_cell = 0_pInt
|
||||
allocate(FE_cellnodeParentnodeWeights(FE_maxNnodes,FE_maxNcellnodes,FE_Nelemtypes)); FE_cellnodeParentnodeWeights = 0.0_pReal
|
||||
allocate(FE_cellface(FE_maxNcellnodesPerCellface,FE_maxNcellfaces,FE_Ncelltypes)); FE_cellface = 0_pInt
|
||||
allocate(FE_nodesAtIP(FE_maxmaxNnodesAtIP,FE_maxNips,FE_Ngeomtypes), source=0_pInt)
|
||||
allocate(FE_ipNeighbor(FE_maxNipNeighbors,FE_maxNips,FE_Ngeomtypes), source=0_pInt)
|
||||
allocate(FE_cell(FE_maxNcellnodesPerCell,FE_maxNips,FE_Ngeomtypes), source=0_pInt)
|
||||
allocate(FE_cellnodeParentnodeWeights(FE_maxNnodes,FE_maxNcellnodes,FE_Nelemtypes), source=0.0_pReal)
|
||||
allocate(FE_cellface(FE_maxNcellnodesPerCellface,FE_maxNcellfaces,FE_Ncelltypes), source=0_pInt)
|
||||
|
||||
|
||||
!*** fill FE_nodesAtIP with data ***
|
||||
|
|
|
|||
|
|
@ -8,30 +8,38 @@
|
|||
!> results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module mesh
|
||||
#include <petsc/finclude/petscdmplex.h>
|
||||
#include <petsc/finclude/petscis.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
use prec, only: pReal, pInt
|
||||
|
||||
use PETScdmplex
|
||||
use PETScdmda
|
||||
use PETScis
|
||||
|
||||
implicit none
|
||||
private
|
||||
integer(pInt), public, parameter :: &
|
||||
mesh_ElemType=1_pInt !< Element type of the mesh (only support homogeneous meshes)
|
||||
|
||||
integer(pInt), public, protected :: &
|
||||
mesh_Nboundaries, &
|
||||
mesh_NcpElems, & !< total number of CP elements in mesh
|
||||
mesh_NcpElemsGlobal, &
|
||||
mesh_Nnodes, & !< total number of nodes in mesh
|
||||
mesh_maxNnodes, & !< max number of nodes in any CP element
|
||||
mesh_maxNips, & !< max number of IPs in any CP element
|
||||
mesh_maxNipNeighbors, &
|
||||
mesh_Nelems !< total number of elements in mesh
|
||||
mesh_NipsPerElem, & !< number of IPs in per element
|
||||
mesh_maxNipNeighbors
|
||||
!!!! BEGIN DEPRECATED !!!!!
|
||||
integer(pInt), public, protected :: &
|
||||
mesh_maxNips !< max number of IPs in any CP element
|
||||
!!!! BEGIN DEPRECATED !!!!!
|
||||
|
||||
real(pReal), public, protected :: charLength
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
mesh_homogenizationAt, & !< homogenization ID of each element
|
||||
mesh_microstructureAt !< microstructure ID of each element
|
||||
|
||||
integer(pInt), dimension(:,:), allocatable, public, protected :: &
|
||||
mesh_element !< FEid, type(internal representation), material, texture, node indices as CP IDs
|
||||
mesh_element !DEPRECATED
|
||||
|
||||
real(pReal), dimension(:,:), allocatable, public :: &
|
||||
mesh_node !< node x,y,z coordinates (after deformation! ONLY FOR MARC!!!)
|
||||
|
|
@ -56,30 +64,20 @@ use PETScis
|
|||
|
||||
DM, public :: geomMesh
|
||||
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
PetscInt, dimension(:), allocatable, public, protected :: &
|
||||
mesh_boundaries
|
||||
|
||||
|
||||
integer(pInt), parameter, public :: &
|
||||
FE_Nelemtypes = 1_pInt, &
|
||||
FE_Ngeomtypes = 1_pInt, &
|
||||
FE_Ncelltypes = 1_pInt, &
|
||||
FE_maxNnodes = 1_pInt, &
|
||||
FE_maxNips = 14_pInt
|
||||
|
||||
integer(pInt), dimension(FE_Nelemtypes), parameter, public :: FE_geomtype = & !< geometry type of particular element type
|
||||
integer(pInt), dimension(1_pInt), parameter, public :: FE_geomtype = & !< geometry type of particular element type
|
||||
int([1],pInt)
|
||||
|
||||
integer(pInt), dimension(FE_Ngeomtypes), parameter, public :: FE_celltype = & !< cell type that is used by each geometry type
|
||||
integer(pInt), dimension(1_pInt), parameter, public :: FE_celltype = & !< cell type that is used by each geometry type
|
||||
int([1],pInt)
|
||||
|
||||
integer(pInt), dimension(FE_Nelemtypes), parameter, public :: FE_Nnodes = & !< number of nodes that constitute a specific type of element
|
||||
int([0],pInt)
|
||||
|
||||
integer(pInt), dimension(FE_Ngeomtypes), public :: FE_Nips = & !< number of IPs in a specific type of element
|
||||
integer(pInt), dimension(1_pInt), public :: FE_Nips = & !< number of IPs in a specific type of element
|
||||
int([0],pInt)
|
||||
|
||||
integer(pInt), dimension(FE_Ncelltypes), parameter, public :: FE_NipNeighbors = & !< number of ip neighbors / cell faces in a specific cell type
|
||||
integer(pInt), dimension(1_pInt), parameter, public :: FE_NipNeighbors = & !< number of ip neighbors / cell faces in a specific cell type
|
||||
int([6],pInt)
|
||||
|
||||
|
||||
|
|
@ -89,15 +87,6 @@ use PETScis
|
|||
mesh_FEM_build_ipCoordinates, &
|
||||
mesh_cellCenterCoordinates
|
||||
|
||||
external :: &
|
||||
DMPlexCreateFromFile, &
|
||||
DMPlexDistribute, &
|
||||
DMPlexCopyCoordinates, &
|
||||
DMGetStratumSize, &
|
||||
DMPlexGetHeightStratum, &
|
||||
DMPlexGetLabelValue, &
|
||||
DMPlexSetLabelValue
|
||||
|
||||
contains
|
||||
|
||||
|
||||
|
|
@ -105,7 +94,7 @@ contains
|
|||
!> @brief initializes the mesh by calling all necessary private routines the mesh module
|
||||
!! Order and routines strongly depend on type of solver
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_init(ip,el)
|
||||
subroutine mesh_init()
|
||||
use DAMASK_interface
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
use IO, only: &
|
||||
|
|
@ -127,15 +116,13 @@ subroutine mesh_init(ip,el)
|
|||
worldsize
|
||||
use FEsolving, only: &
|
||||
FEsolving_execElem, &
|
||||
FEsolving_execIP, &
|
||||
calcMode
|
||||
FEsolving_execIP
|
||||
use FEM_Zoo, only: &
|
||||
FEM_Zoo_nQuadrature, &
|
||||
FEM_Zoo_QuadraturePoints
|
||||
|
||||
implicit none
|
||||
integer(pInt), parameter :: FILEUNIT = 222_pInt
|
||||
integer(pInt), intent(in) :: el, ip
|
||||
integer(pInt) :: j
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
integer :: dimPlex
|
||||
|
|
@ -154,14 +141,19 @@ subroutine mesh_init(ip,el)
|
|||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
! read in file
|
||||
call DMPlexCreateFromFile(PETSC_COMM_WORLD,geometryFile,PETSC_TRUE,globalMesh,ierr)
|
||||
CHKERRQ(ierr)
|
||||
! get spatial dimension (2 or 3?)
|
||||
call DMGetDimension(globalMesh,dimPlex,ierr)
|
||||
CHKERRQ(ierr)
|
||||
write(6,*) 'dimension',dimPlex;flush(6)
|
||||
call DMGetStratumSize(globalMesh,'depth',dimPlex,mesh_NcpElemsGlobal,ierr)
|
||||
CHKERRQ(ierr)
|
||||
! get number of IDs in face sets (for boundary conditions?)
|
||||
call DMGetLabelSize(globalMesh,'Face Sets',mesh_Nboundaries,ierr)
|
||||
CHKERRQ(ierr)
|
||||
write(6,*) 'number of "Face Sets"',mesh_Nboundaries;flush(6)
|
||||
call MPI_Bcast(mesh_Nboundaries,1,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
|
||||
call MPI_Bcast(mesh_NcpElemsGlobal,1,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
|
||||
call MPI_Bcast(dimPlex,1,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
|
||||
|
|
@ -177,7 +169,9 @@ subroutine mesh_init(ip,el)
|
|||
enddo
|
||||
if (nFaceSets > 0) call ISRestoreIndicesF90(faceSetIS,pFaceSets,ierr)
|
||||
call MPI_Bcast(mesh_boundaries,mesh_Nboundaries,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
|
||||
! this read in function should ignore C and C++ style comments
|
||||
! it is used for BC only?
|
||||
if (worldrank == 0) then
|
||||
j = 0
|
||||
flag = .false.
|
||||
|
|
@ -186,8 +180,8 @@ subroutine mesh_init(ip,el)
|
|||
read(FILEUNIT,'(a512)') line
|
||||
if (trim(line) == IO_EOF) exit ! skip empty lines
|
||||
if (trim(line) == '$Elements') then
|
||||
read(FILEUNIT,'(a512)') line
|
||||
read(FILEUNIT,'(a512)') line
|
||||
read(FILEUNIT,'(a512)') line ! number of elements (ignore)
|
||||
read(FILEUNIT,'(a512)') line
|
||||
flag = .true.
|
||||
endif
|
||||
if (trim(line) == '$EndElements') exit
|
||||
|
|
@ -212,29 +206,25 @@ subroutine mesh_init(ip,el)
|
|||
endif
|
||||
call DMDestroy(globalMesh,ierr); CHKERRQ(ierr)
|
||||
|
||||
call DMGetStratumSize(geomMesh,'depth',dimPlex,mesh_Nelems,ierr)
|
||||
call DMGetStratumSize(geomMesh,'depth',dimPlex,mesh_NcpElems,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call DMGetStratumSize(geomMesh,'depth',0,mesh_Nnodes,ierr)
|
||||
CHKERRQ(ierr)
|
||||
mesh_NcpElems = mesh_Nelems
|
||||
|
||||
FE_Nips(FE_geomtype(1_pInt)) = FEM_Zoo_nQuadrature(dimPlex,integrationOrder)
|
||||
mesh_maxNnodes = FE_Nnodes(1_pInt)
|
||||
mesh_maxNips = FE_Nips(1_pInt)
|
||||
call mesh_FEM_build_ipCoordinates(dimPlex,FEM_Zoo_QuadraturePoints(dimPlex,integrationOrder)%p)
|
||||
call mesh_FEM_build_ipVolumes(dimPlex)
|
||||
|
||||
allocate (mesh_element (4_pInt+mesh_maxNnodes,mesh_NcpElems)); mesh_element = 0_pInt
|
||||
allocate (mesh_element (4_pInt,mesh_NcpElems)); mesh_element = 0_pInt
|
||||
do j = 1, mesh_NcpElems
|
||||
mesh_element( 1,j) = j
|
||||
mesh_element( 2,j) = 1_pInt ! elem type
|
||||
mesh_element( 1,j) = -1_pInt ! DEPRECATED
|
||||
mesh_element( 2,j) = mesh_elemType ! elem type
|
||||
mesh_element( 3,j) = 1_pInt ! homogenization
|
||||
call DMGetLabelValue(geomMesh,'material',j-1,mesh_element(4,j),ierr)
|
||||
CHKERRQ(ierr)
|
||||
end do
|
||||
|
||||
if (usePingPong .and. (mesh_Nelems /= mesh_NcpElems)) &
|
||||
call IO_error(600_pInt) ! ping-pong must be disabled when having non-DAMASK elements
|
||||
if (debug_e < 1 .or. debug_e > mesh_NcpElems) &
|
||||
call IO_error(602_pInt,ext_msg='element') ! selected element does not exist
|
||||
if (debug_i < 1 .or. debug_i > FE_Nips(FE_geomtype(mesh_element(2_pInt,debug_e)))) &
|
||||
|
|
@ -245,10 +235,14 @@ subroutine mesh_init(ip,el)
|
|||
allocate(FEsolving_execIP(2_pInt,mesh_NcpElems)); FEsolving_execIP = 1_pInt ! parallel loop bounds set to comprise from first IP...
|
||||
forall (j = 1_pInt:mesh_NcpElems) FEsolving_execIP(2,j) = FE_Nips(FE_geomtype(mesh_element(2,j))) ! ...up to own IP count for each element
|
||||
|
||||
if (allocated(calcMode)) deallocate(calcMode)
|
||||
allocate(calcMode(mesh_maxNips,mesh_NcpElems))
|
||||
calcMode = .false. ! pretend to have collected what first call is asking (F = I)
|
||||
calcMode(ip,el) = .true. ! first ip,el needs to be already pingponged to "calc"
|
||||
!!!! COMPATIBILITY HACK !!!!
|
||||
! for a homogeneous mesh, all elements have the same number of IPs and and cell nodes.
|
||||
! hence, xxPerElem instead of maxXX
|
||||
mesh_NipsPerElem = mesh_maxNips
|
||||
! better name
|
||||
mesh_homogenizationAt = mesh_element(3,:)
|
||||
mesh_microstructureAt = mesh_element(4,:)
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
|
||||
end subroutine mesh_init
|
||||
|
||||
|
|
|
|||
|
|
@ -127,12 +127,7 @@ module numerics
|
|||
#ifdef FEM
|
||||
integer(pInt), protected, public :: &
|
||||
integrationOrder = 2_pInt, & !< order of quadrature rule required
|
||||
structOrder = 2_pInt, & !< order of displacement shape functions
|
||||
thermalOrder = 2_pInt, & !< order of temperature field shape functions
|
||||
damageOrder = 2_pInt, & !< order of damage field shape functions
|
||||
vacancyfluxOrder = 2_pInt, & !< order of vacancy concentration and chemical potential field shape functions
|
||||
porosityOrder = 2_pInt, & !< order of porosity field shape functions
|
||||
hydrogenfluxOrder = 2_pInt !< order of hydrogen concentration and chemical potential field shape functions
|
||||
structOrder = 2_pInt !< order of displacement shape functions
|
||||
logical, protected, public :: &
|
||||
BBarStabilisation = .false.
|
||||
character(len=4096), protected, public :: &
|
||||
|
|
@ -146,40 +141,7 @@ module numerics
|
|||
&-mech_pc_type ml &
|
||||
&-mech_mg_levels_ksp_type chebyshev &
|
||||
&-mech_mg_levels_pc_type sor &
|
||||
&-mech_pc_ml_nullspace user &
|
||||
&-damage_snes_type vinewtonrsls &
|
||||
&-damage_snes_atol 1e-8 &
|
||||
&-damage_ksp_type preonly &
|
||||
&-damage_ksp_max_it 25 &
|
||||
&-damage_pc_type cholesky &
|
||||
&-damage_pc_factor_mat_solver_package mumps &
|
||||
&-thermal_snes_type newtonls &
|
||||
&-thermal_snes_linesearch_type cp &
|
||||
&-thermal_ksp_type fgmres &
|
||||
&-thermal_ksp_max_it 25 &
|
||||
&-thermal_snes_atol 1e-3 &
|
||||
&-thermal_pc_type hypre &
|
||||
&-vacancy_snes_type newtonls &
|
||||
&-vacancy_snes_linesearch_type cp &
|
||||
&-vacancy_snes_atol 1e-9 &
|
||||
&-vacancy_ksp_type fgmres &
|
||||
&-vacancy_ksp_max_it 25 &
|
||||
&-vacancy_pc_type ml &
|
||||
&-vacancy_mg_levels_ksp_type chebyshev &
|
||||
&-vacancy_mg_levels_pc_type sor &
|
||||
&-porosity_snes_type newtonls &
|
||||
&-porosity_snes_atol 1e-8 &
|
||||
&-porosity_ksp_type fgmres &
|
||||
&-porosity_ksp_max_it 25 &
|
||||
&-porosity_pc_type hypre &
|
||||
&-hydrogen_snes_type newtonls &
|
||||
&-hydrogen_snes_linesearch_type cp &
|
||||
&-hydrogen_snes_atol 1e-9 &
|
||||
&-hydrogen_ksp_type fgmres &
|
||||
&-hydrogen_ksp_max_it 25 &
|
||||
&-hydrogen_pc_type ml &
|
||||
&-hydrogen_mg_levels_ksp_type chebyshev &
|
||||
&-hydrogen_mg_levels_pc_type sor ', &
|
||||
&-mech_pc_ml_nullspace user ',&
|
||||
petsc_options = ''
|
||||
#endif
|
||||
|
||||
|
|
@ -230,8 +192,6 @@ subroutine numerics_init
|
|||
tag ,&
|
||||
line
|
||||
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
|
||||
external :: &
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
#ifdef PETSc
|
||||
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
|
||||
|
|
@ -458,16 +418,6 @@ subroutine numerics_init
|
|||
integrationorder = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('structorder')
|
||||
structorder = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('thermalorder')
|
||||
thermalorder = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('damageorder')
|
||||
damageorder = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('vacancyfluxorder')
|
||||
vacancyfluxOrder = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('porosityorder')
|
||||
porosityOrder = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('hydrogenfluxorder')
|
||||
hydrogenfluxOrder = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('petsc_options')
|
||||
petsc_options = trim(line(chunkPos(4):))
|
||||
case ('bbarstabilisation')
|
||||
|
|
@ -479,7 +429,7 @@ subroutine numerics_init
|
|||
#endif
|
||||
case default ! found unknown keyword
|
||||
call IO_error(300_pInt,ext_msg=tag)
|
||||
endselect
|
||||
end select
|
||||
enddo
|
||||
close(FILEUNIT)
|
||||
|
||||
|
|
@ -552,7 +502,7 @@ subroutine numerics_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Random seeding parameter
|
||||
write(6,'(a24,1x,i16,/)') ' random_seed: ',randomSeed
|
||||
write(6,'(a16,1x,i16,/)') ' random_seed: ',randomSeed
|
||||
if (randomSeed <= 0_pInt) &
|
||||
write(6,'(a,/)') ' random seed will be generated!'
|
||||
|
||||
|
|
@ -620,11 +570,6 @@ subroutine numerics_init
|
|||
#ifdef FEM
|
||||
write(6,'(a24,1x,i8)') ' integrationOrder: ',integrationOrder
|
||||
write(6,'(a24,1x,i8)') ' structOrder: ',structOrder
|
||||
write(6,'(a24,1x,i8)') ' thermalOrder: ',thermalOrder
|
||||
write(6,'(a24,1x,i8)') ' damageOrder: ',damageOrder
|
||||
write(6,'(a24,1x,i8)') ' vacancyfluxOrder: ',vacancyfluxOrder
|
||||
write(6,'(a24,1x,i8)') ' porosityOrder: ',porosityOrder
|
||||
write(6,'(a24,1x,i8)') ' hydrogenfluxOrder: ',hydrogenfluxOrder
|
||||
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_defaultOptions)//' '//trim(petsc_options)
|
||||
write(6,'(a24,1x,L8)') ' B-Bar stabilisation: ',BBarStabilisation
|
||||
#endif
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
10
src/prec.f90
10
src/prec.f90
|
|
@ -87,16 +87,6 @@ module prec
|
|||
integer(pInt), pointer, dimension(:,:,:) :: p
|
||||
end type
|
||||
|
||||
#ifdef FEM
|
||||
type, public :: tOutputData
|
||||
integer(pInt) :: &
|
||||
sizeIpCells = 0_pInt , &
|
||||
sizeResults = 0_pInt
|
||||
real(pReal), allocatable, dimension(:,:) :: &
|
||||
output !< output data
|
||||
end type
|
||||
#endif
|
||||
|
||||
public :: &
|
||||
prec_init, &
|
||||
dEq, &
|
||||
|
|
|
|||
|
|
@ -0,0 +1,44 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief quit subroutine
|
||||
!> @details exits the program and reports current time and duration. Exit code 0 signals
|
||||
!> everything is fine. Exit code 1 signals an error, message according to IO_error. Exit code
|
||||
!> 2 signals no severe problems, but some increments did not converge
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine quit(stop_id)
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
#ifdef _OPENMP
|
||||
use MPI, only: &
|
||||
MPI_finalize
|
||||
#endif
|
||||
use prec, only: &
|
||||
pInt
|
||||
use PetscSys
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: stop_id
|
||||
integer, dimension(8) :: dateAndTime ! type default integer
|
||||
integer(pInt) :: error = 0_pInt
|
||||
PetscErrorCode :: ierr = 0
|
||||
|
||||
call PETScFinalize(ierr)
|
||||
CHKERRQ(ierr)
|
||||
#ifdef _OPENMP
|
||||
call MPI_finalize(error)
|
||||
if (error /= 0) write(6,'(a)') ' Error in MPI_finalize'
|
||||
#endif
|
||||
|
||||
call date_and_time(values = dateAndTime)
|
||||
write(6,'(/,a)') 'DAMASK terminated on:'
|
||||
write(6,'(a,2(i2.2,a),i4.4)') 'Date: ',dateAndTime(3),'/',&
|
||||
dateAndTime(2),'/',&
|
||||
dateAndTime(1)
|
||||
write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',&
|
||||
dateAndTime(6),':',&
|
||||
dateAndTime(7)
|
||||
|
||||
if (stop_id == 0_pInt .and. ierr == 0_pInt .and. error == 0_pInt) stop 0 ! normal termination
|
||||
if (stop_id == 2_pInt .and. ierr == 0_pInt .and. error == 0_pInt) stop 2 ! not all incs converged
|
||||
stop 1 ! error (message from IO_error)
|
||||
|
||||
end subroutine quit
|
||||
|
|
@ -50,8 +50,6 @@ module spectral_damage
|
|||
spectral_damage_init, &
|
||||
spectral_damage_solution, &
|
||||
spectral_damage_forward
|
||||
external :: &
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -85,11 +83,6 @@ subroutine spectral_damage_init()
|
|||
Vec :: uBound, lBound
|
||||
PetscErrorCode :: ierr
|
||||
character(len=100) :: snes_type
|
||||
external :: &
|
||||
SNESSetOptionsPrefix, &
|
||||
SNESGetType, &
|
||||
DMDAGetCorners, &
|
||||
DMDASNESSetFunctionLocal
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press, '
|
||||
|
|
@ -194,11 +187,6 @@ type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadC
|
|||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
VecMin, &
|
||||
VecMax, &
|
||||
SNESSolve
|
||||
|
||||
spectral_damage_solution%converged =.false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -66,8 +66,6 @@ module spectral_mech_basic
|
|||
basic_init, &
|
||||
basic_solution, &
|
||||
basic_forward
|
||||
external :: &
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -119,11 +117,6 @@ subroutine basic_init
|
|||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
external :: &
|
||||
SNESSetOptionsPrefix, &
|
||||
SNESSetConvergenceTest, &
|
||||
DMDASNESSetFunctionLocal
|
||||
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
|
||||
write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
|
|
@ -246,9 +239,6 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres
|
|||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
SNESsolve
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -73,8 +73,6 @@ module spectral_mech_Polarisation
|
|||
Polarisation_init, &
|
||||
Polarisation_solution, &
|
||||
Polarisation_forward
|
||||
external :: &
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -130,11 +128,6 @@ subroutine Polarisation_init
|
|||
integer(pInt) :: proc
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
external :: &
|
||||
SNESSetOptionsPrefix, &
|
||||
SNESSetConvergenceTest, &
|
||||
DMDASNESsetFunctionLocal
|
||||
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
|
||||
write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
|
|
@ -272,9 +265,6 @@ type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_ol
|
|||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
SNESSolve
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -50,8 +50,6 @@ module spectral_thermal
|
|||
spectral_thermal_init, &
|
||||
spectral_thermal_solution, &
|
||||
spectral_thermal_forward
|
||||
external :: &
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -88,11 +86,6 @@ subroutine spectral_thermal_init
|
|||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
external :: &
|
||||
SNESsetOptionsPrefix, &
|
||||
DMDAgetCorners, &
|
||||
DMDASNESsetFunctionLocal
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
|
||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press,'
|
||||
write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018'
|
||||
|
|
@ -196,11 +189,6 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
|
|||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
external :: &
|
||||
VecMin, &
|
||||
VecMax, &
|
||||
SNESSolve
|
||||
|
||||
spectral_thermal_solution%converged =.false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -146,8 +146,6 @@ module spectral_utilities
|
|||
FIELD_DAMAGE_ID
|
||||
private :: &
|
||||
utilities_getFreqDerivative
|
||||
external :: &
|
||||
PETScErrorF ! is called in the CHKERRQ macro
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -209,8 +207,6 @@ subroutine utilities_init()
|
|||
scalarSize = 1_C_INTPTR_T, &
|
||||
vecSize = 3_C_INTPTR_T, &
|
||||
tensorSize = 9_C_INTPTR_T
|
||||
external :: &
|
||||
PetscOptionsInsertString
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
|
||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity, 46:37–53, 2013'
|
||||
|
|
|
|||
Loading…
Reference in New Issue