DAMASK with grid solvers  Revision: v2.0.3-2204-gdb1f2151
The Düsseldorf Advanced Material Simulation Kit with Grid Solvers
grid_mech_FEM.f90
Go to the documentation of this file.
1 # 1 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/grid/grid_mech_FEM.f90"
2 # 1 "<built-in>"
3 # 1 "<command-line>"
4 # 1 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/grid/grid_mech_FEM.f90"
5 !--------------------------------------------------------------------------------------------------
10 !--------------------------------------------------------------------------------------------------
12 
13 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscsnes.h" 1
14 !
15 ! Include file for Fortran use of the SNES package in 1
16 !
17 
18 
19 
20 
21 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscksp.h" 1
22 !
23 !
24 ! Include file for Fortran use of the KSP package in 1
25 !
26 
27 
28 
29 
30 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscpc.h" 1
31 !
32 !
33 ! Include file for Fortran use of the PC (preconditioner) package in 1
34 !
35 
36 
37 
38 
39 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h" 1
40 !
41 !
42 ! Include file for Fortran use of the Mat package in 1
43 !
44 
45 
46 
47 
48 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscvec.h" 1
49 !
50 !
51 ! Include file for Fortran use of the Vec package in 1
52 !
53 
54 
55 
56 
57 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscao.h" 1
58 !
59 !
60 ! Include file for Fortran use of the AO (application ordering) package in 1
61 !
62 
63 
64 
65 
66 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscis.h" 1
67 !
68 !
69 ! Include file for Fortran use of the IS (index set) package in 1
70 !
71 
72 
73 
74 
75 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 1
76 !
77 !
78 ! Part of the base include file for Fortran use of 1.
79 ! Note: This file should contain only define statements and
80 ! not the declaration of variables.
81 
82 ! No spaces for #defines as some compilers (PGI) also adds
83 ! those additional spaces during preprocessing - bad for fixed format
84 !
85 
86 
87 
88 # 1 "/opt/petsc-3.10.3/Intel-18.4-IntelMPI-2018/include/petscconf.h" 1
89 
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1296 # 13 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
1297 
1298 
1299 
1300 
1301 # 1 "/opt/petsc-3.10.3/include/petscversion.h" 1
1302 
1303 
1304 
1305 
1306 
1307 
1308 
1309 
1310 
1311 
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1347 # 17 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
1348 
1349 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscviewer.h" 1
1350 !
1351 ! Include file for Fortran use of the PetscViewer package in 1
1352 !
1353 
1354 
1355 
1356 
1357 
1358 
1359 
1360 
1361 
1362 
1363 
1364 
1365 
1366 # 31 "/opt/petsc-3.10.3/include/petsc/finclude/petscviewer.h"
1367 
1368 # 18 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
1369 
1370 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscerror.h" 1
1371 
1372 !
1373 ! Include file for Fortran error codes
1374 ! These are also in include/petscerror.h
1375 !
1376 
1377 
1378 
1379 # 24 "/opt/petsc-3.10.3/include/petsc/finclude/petscerror.h"
1380 
1381 # 38 "/opt/petsc-3.10.3/include/petsc/finclude/petscerror.h"
1382 
1383 
1384 
1385 
1386 
1387 
1388 
1389 
1390 
1391 
1392 
1393 
1394 
1395 
1396 
1397 
1398 # 19 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
1399 
1400 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petsclog.h" 1
1401 !
1402 ! No includes needed for logging
1403 # 20 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
1404 
1405 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscbag.h" 1
1406 !
1407 !
1408 ! Include file for Fortran use of the Bag package in 1
1409 !
1410 
1411 
1412 
1413 
1414 
1415 !
1416 ! End of Fortran include file for the IS package in 1
1417 
1418 # 21 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
1419 
1420 !
1421 ! The real*8,complex*16 notatiton is used so that the
1422 ! 1 double/complex variables are not affected by
1423 ! compiler options like -r4,-r8, sometimes invoked
1424 ! by the user. NAG compiler does not like integer*4,real*8
1425 
1426 # 41 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
1427 
1428 
1429 
1430 
1431 
1432 
1433 
1434 
1435 
1436 # 63 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
1437 
1438 
1439 
1440 
1441 
1442 
1443 !
1444 
1445 
1446 
1447 
1448 
1449 !
1450 # 85 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
1451 !
1452 
1453 
1454 
1455 
1456 
1457 
1458 !
1459 
1460 
1461 
1462 
1463 !
1464 
1465 !
1466 
1467 
1468 !
1469 # 128 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
1470 
1471 # 150 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
1472 !
1473 ! Macro for templating between real and complex
1474 !
1475 # 174 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
1476 
1477 
1478 
1479 
1480 
1481 
1482 
1483 
1484 
1485 !
1486 ! Allows the matrix Fortran Kernels to work with single precision
1487 ! matrix data structures
1488 !
1489 
1490 !
1491 ! PetscLogDouble variables are used to contain double precision numbers
1492 ! that are not used in the numerical computations, but rather in logging,
1493 ! timing etc.
1494 !
1495 
1496 
1497 !
1498 ! Macros for error checking
1499 !
1500 
1501 
1502 
1503 
1504 
1505 
1506 
1507 
1508 # 215 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
1509 
1510 
1511 
1512 
1513 
1514 
1515 
1516 
1517 
1518 
1519 
1520 
1521 # 9 "/opt/petsc-3.10.3/include/petsc/finclude/petscis.h" 2
1522 
1523 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscviewer.h" 1
1524 !
1525 ! Include file for Fortran use of the type(tPetscViewer) package in 1
1526 !
1527 # 10 "/opt/petsc-3.10.3/include/petsc/finclude/petscis.h" 2
1528 
1529 
1530 
1531 
1532 
1533 
1534 
1535 
1536 
1537 
1538 
1539 
1540 
1541 
1542 
1543 
1544 
1545 
1546 
1547 
1548 
1549 # 9 "/opt/petsc-3.10.3/include/petsc/finclude/petscao.h" 2
1550 
1551 
1552 
1553 
1554 
1555 
1556 
1557 
1558 
1559 # 9 "/opt/petsc-3.10.3/include/petsc/finclude/petscvec.h" 2
1560 
1561 
1562 
1563 
1564 
1565 
1566 
1567 
1568 
1569 
1570 
1571 
1572 
1573 # 30 "/opt/petsc-3.10.3/include/petsc/finclude/petscvec.h"
1574 
1575 
1576 
1577 # 9 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h" 2
1578 
1579 
1580 
1581 
1582 
1583 # 49 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h"
1584 
1585 
1586 
1587 
1588 
1589 
1590 
1591 
1592 
1593 
1594 
1595 
1596 
1597 # 71 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h"
1598 !
1599 ! Matrix types
1600 !
1601 # 115 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h"
1602 
1603 # 140 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h"
1604 
1605 !
1606 ! MatMFFDType values
1607 !
1608 
1609 
1610 
1611 !
1612 ! MatSolverTypes
1613 !
1614 # 168 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h"
1615 
1616 !
1617 ! GPU Storage Formats for CUSPARSE
1618 !
1619 
1620 
1621 
1622 !
1623 ! sparsity reducing ordering for STRUMPACK
1624 !
1625 
1626 
1627 # 9 "/opt/petsc-3.10.3/include/petsc/finclude/petscpc.h" 2
1628 
1629 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscdm.h" 1
1630 
1631 !
1632 ! Include file for Fortran use of the DM package in 1
1633 !
1634 
1635 
1636 
1637 
1638 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscis.h" 1
1639 !
1640 !
1641 ! Include file for Fortran use of the type(tIS) (index set) package in 1
1642 !
1643 # 9 "/opt/petsc-3.10.3/include/petsc/finclude/petscdm.h" 2
1644 
1645 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscvec.h" 1
1646 !
1647 !
1648 ! Include file for Fortran use of the type(tVec) package in 1
1649 !
1650 # 10 "/opt/petsc-3.10.3/include/petsc/finclude/petscdm.h" 2
1651 
1652 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h" 1
1653 !
1654 !
1655 ! Include file for Fortran use of the type(tMat) package in 1
1656 !
1657 # 11 "/opt/petsc-3.10.3/include/petsc/finclude/petscdm.h" 2
1658 
1659 
1660 
1661 
1662 
1663 
1664 
1665 
1666 
1667 
1668 
1669 # 32 "/opt/petsc-3.10.3/include/petsc/finclude/petscdm.h"
1670 
1671 
1672 # 47 "/opt/petsc-3.10.3/include/petsc/finclude/petscdm.h"
1673 
1674 # 10 "/opt/petsc-3.10.3/include/petsc/finclude/petscpc.h" 2
1675 
1676 
1677 
1678 # 26 "/opt/petsc-3.10.3/include/petsc/finclude/petscpc.h"
1679 !
1680 ! GAMG types
1681 !
1682 
1683 
1684 !
1685 ! Various preconditioners
1686 !
1687 # 74 "/opt/petsc-3.10.3/include/petsc/finclude/petscpc.h"
1688 
1689 # 9 "/opt/petsc-3.10.3/include/petsc/finclude/petscksp.h" 2
1690 
1691 
1692 
1693 
1694 # 21 "/opt/petsc-3.10.3/include/petsc/finclude/petscksp.h"
1695 !
1696 ! Various Krylov subspace methods
1697 !
1698 # 57 "/opt/petsc-3.10.3/include/petsc/finclude/petscksp.h"
1699 !
1700 ! Various Initial guesses for Krylov subspace methods
1701 !
1702 # 8 "/opt/petsc-3.10.3/include/petsc/finclude/petscsnes.h" 2
1703 
1704 
1705 
1706 
1707 
1708 # 30 "/opt/petsc-3.10.3/include/petsc/finclude/petscsnes.h"
1709 
1710 !
1711 ! character*(80)
1712 !
1713 # 47 "/opt/petsc-3.10.3/include/petsc/finclude/petscsnes.h"
1714 
1715 !
1716 ! character*(80)
1717 !
1718 
1719 
1720 
1721 
1722 
1723 
1724 
1725 !
1726 ! integer(kind=selected_int_kind(5))
1727 !
1728 
1729 
1730 
1731 
1732 
1733 
1734 !
1735 ! character*(80)
1736 !
1737 # 78 "/opt/petsc-3.10.3/include/petsc/finclude/petscsnes.h"
1738 
1739 
1740 
1741 # 9 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/grid/grid_mech_FEM.f90" 2
1742 
1743 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscdmda.h" 1
1744 
1745 !
1746 ! Include file for Fortran use of the 'da' (distributed array) package in 1
1747 !
1748 
1749 
1750 
1751 
1752 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscis.h" 1
1753 !
1754 !
1755 ! Include file for Fortran use of the type(tIS) (index set) package in 1
1756 !
1757 # 9 "/opt/petsc-3.10.3/include/petsc/finclude/petscdmda.h" 2
1758 
1759 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscvec.h" 1
1760 !
1761 !
1762 ! Include file for Fortran use of the type(tVec) package in 1
1763 !
1764 # 10 "/opt/petsc-3.10.3/include/petsc/finclude/petscdmda.h" 2
1765 
1766 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscmat.h" 1
1767 !
1768 !
1769 ! Include file for Fortran use of the type(tMat) package in 1
1770 !
1771 # 11 "/opt/petsc-3.10.3/include/petsc/finclude/petscdmda.h" 2
1772 
1773 # 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscdm.h" 1
1774 
1775 !
1776 ! Include file for Fortran use of the type(tDM) package in 1
1777 !
1778 # 12 "/opt/petsc-3.10.3/include/petsc/finclude/petscdmda.h" 2
1779 
1780 
1781 
1782 
1783 
1784 !
1785 ! DMDA_LOCAL_INFO_SIZE is one large than the size incase the DA is larger than an integer (on 64 bit systems).
1786 ! non-int fields are not accessiable from fortran.
1787 !
1788 # 39 "/opt/petsc-3.10.3/include/petsc/finclude/petscdmda.h"
1789 
1790 
1791 
1792 
1793 
1794 
1795 
1796 
1797 
1798 
1799 
1800 
1801 
1802 # 10 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/grid/grid_mech_FEM.f90" 2
1803  use petscdmda
1804  use petscsnes
1805 
1806  use prec
1807  use damask_interface
1808  use hdf5_utilities
1809  use math
1810  use spectral_utilities
1811  use fesolving
1812  use numerics
1813  use homogenization
1814  use discretization
1816  use debug
1817 
1818  implicit none
1819  private
1820 
1821 !--------------------------------------------------------------------------------------------------
1822 ! derived types
1823  type(tsolutionparams), private :: params
1824 
1825 !--------------------------------------------------------------------------------------------------
1826 ! 1 data
1827  type(tdm), private :: mech_grid
1828  type(tsnes), private :: mech_snes
1830 
1831 !--------------------------------------------------------------------------------------------------
1832 ! common pointwise data
1833  real(preal), private, dimension(:,:,:,:,:), allocatable :: f, p_current, f_lastinc
1834  real(preal), private :: detj
1835  real(preal), private, dimension(3) :: delta
1836  real(preal), private, dimension(3,8) :: bmat
1837  real(preal), private, dimension(8,8) :: hgmat
1838  integer(kind=selected_int_kind(5)), private :: xstart,ystart,zstart,xend,yend,zend
1839 
1840 !--------------------------------------------------------------------------------------------------
1841 ! stress, stiffness and compliance average etc.
1842  real(preal), private, dimension(3,3) :: &
1843  f_aimdot = 0.0_preal, &
1844  f_aim = math_i3, &
1845  f_aim_lastiter = math_i3, &
1846  f_aim_lastinc = math_i3, &
1847  p_av = 0.0_preal
1848 
1849  character(len=pStringLen), private :: incinfo
1850 
1851  real(preal), private, dimension(3,3,3,3) :: &
1852  c_volavg = 0.0_preal, &
1853  c_volavglastinc = 0.0_preal, &
1854  s = 0.0_preal
1855 
1856  real(preal), private :: &
1857  err_bc
1858 
1859  integer, private :: &
1860  totaliter = 0
1861 
1862  public :: &
1868 
1869 contains
1870 
1871 !--------------------------------------------------------------------------------------------------
1873 !--------------------------------------------------------------------------------------------------
1874 subroutine grid_mech_fem_init
1876  real(preal) :: hgcoeff = 0.0e-2_preal
1877  integer(kind=selected_int_kind(5)), dimension(0:worldsize-1) :: localk
1878  real(preal), dimension(3,3) :: &
1879  temp33_real = 0.0_preal
1880  real(preal), dimension(4,8) :: &
1881  hgcomp = reshape([ 1.0_preal, 1.0_preal, 1.0_preal,-1.0_preal, &
1882  1.0_preal,-1.0_preal,-1.0_preal, 1.0_preal, &
1883  -1.0_preal, 1.0_preal,-1.0_preal, 1.0_preal, &
1884  -1.0_preal,-1.0_preal, 1.0_preal,-1.0_preal, &
1885  -1.0_preal,-1.0_preal, 1.0_preal, 1.0_preal, &
1886  -1.0_preal, 1.0_preal,-1.0_preal,-1.0_preal, &
1887  1.0_preal,-1.0_preal,-1.0_preal,-1.0_preal, &
1888  1.0_preal, 1.0_preal, 1.0_preal, 1.0_preal], [4,8])
1889  integer(kind=selected_int_kind(5)) :: ierr
1890  integer(HID_T) :: filehandle, grouphandle
1891  character(len=pStringLen) :: filename
1892  real(preal), dimension(3,3,3,3) :: devnull
1893  real(kind=selected_real_kind(10)), pointer, dimension(:,:,:,:) :: &
1894  u_current,u_lastinc
1895 
1896  write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
1897 
1898 !--------------------------------------------------------------------------------------------------
1899 ! set default and user defined options for 1
1900  call petscoptionsinsertstring(petsc_null_options,'-mech_snes_type newtonls -mech_ksp_type fgmres &
1901  &-mech_ksp_max_it 25 -mech_pc_type ml -mech_mg_levels_ksp_type chebyshev',ierr)
1902  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1903  call petscoptionsinsertstring(petsc_null_options,trim(petsc_options),ierr)
1904  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1905 
1906 !--------------------------------------------------------------------------------------------------
1907 ! allocate global fields
1908  allocate(f(3,3,grid(1),grid(2),grid3),source = 0.0_preal)
1909  allocate(p_current(3,3,grid(1),grid(2),grid3),source = 0.0_preal)
1910  allocate(f_lastinc(3,3,grid(1),grid(2),grid3),source = 0.0_preal)
1911 
1912 !--------------------------------------------------------------------------------------------------
1913 ! initialize solver specific parts of 1
1914  call snescreate(petsc_comm_world,mech_snes,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1915  call snessetoptionsprefix(mech_snes,'mech_',ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1916  localk = 0
1917  localk(worldrank) = grid3
1918  call mpi_allreduce(mpi_in_place,localk,worldsize,mpi_integer,mpi_sum,petsc_comm_world,ierr)
1919  call dmdacreate3d(petsc_comm_world, &
1920  dm_boundary_periodic, dm_boundary_periodic, dm_boundary_periodic, &
1921  dmda_stencil_box, &
1922  grid(1),grid(2),grid(3), &
1923  1, 1, worldsize, &
1924  3, 1, &
1925  [grid(1)],[grid(2)],localk, &
1926  mech_grid,ierr)
1927  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1928  call dmdasetuniformcoordinates(mech_grid,0.0_preal,geomsize(1),0.0_preal,geomsize(2),0.0_preal,geomsize(3),ierr)
1929  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1930  call snessetdm(mech_snes,mech_grid,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1931  call dmsetfromoptions(mech_grid,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1932  call dmsetup(mech_grid,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1933  call dmcreateglobalvector(mech_grid,solution_current,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1934  call dmcreateglobalvector(mech_grid,solution_lastinc,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1935  call dmcreateglobalvector(mech_grid,solution_rate ,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1936  call dmsnessetfunctionlocal(mech_grid,formresidual,petsc_null_snes,ierr)
1937  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1938  call dmsnessetjacobianlocal(mech_grid,formjacobian,petsc_null_snes,ierr)
1939  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1940  call snessetconvergencetest(mech_snes,converged,petsc_null_snes,petsc_null_function,ierr) ! specify custom convergence check function "_converged"
1941  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1942  call snessetmaxlinearsolvefailures(mech_snes, huge(1), ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif ! ignore linear solve failures
1943  call snessetfromoptions(mech_snes,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif ! pull it all together with additional cli arguments
1944 
1945 !--------------------------------------------------------------------------------------------------
1946 ! init fields
1947  call vecset(solution_current,0.0_preal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1948  call vecset(solution_lastinc,0.0_preal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1949  call vecset(solution_rate ,0.0_preal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1950  call dmdavecgetarrayf90(mech_grid,solution_current,u_current,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1951  call dmdavecgetarrayf90(mech_grid,solution_lastinc,u_lastinc,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1952 
1953  call dmdagetcorners(mech_grid,xstart,ystart,zstart,xend,yend,zend,ierr) ! local grid extent
1954  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1955  xend = xstart+xend-1
1956  yend = ystart+yend-1
1957  zend = zstart+zend-1
1958  delta = geomsize/real(grid,preal) ! grid spacing
1959  detj = product(delta) ! cell volume
1960 
1961  bmat = reshape(real([-1.0_preal/delta(1),-1.0_preal/delta(2),-1.0_preal/delta(3), &
1962  1.0_preal/delta(1),-1.0_preal/delta(2),-1.0_preal/delta(3), &
1963  -1.0_preal/delta(1), 1.0_preal/delta(2),-1.0_preal/delta(3), &
1964  1.0_preal/delta(1), 1.0_preal/delta(2),-1.0_preal/delta(3), &
1965  -1.0_preal/delta(1),-1.0_preal/delta(2), 1.0_preal/delta(3), &
1966  1.0_preal/delta(1),-1.0_preal/delta(2), 1.0_preal/delta(3), &
1967  -1.0_preal/delta(1), 1.0_preal/delta(2), 1.0_preal/delta(3), &
1968  1.0_preal/delta(1), 1.0_preal/delta(2), 1.0_preal/delta(3)],preal), [3,8])/4.0_preal ! shape function derivative matrix
1969 
1970  hgmat = matmul(transpose(hgcomp),hgcomp) &
1971  * hgcoeff*(delta(1)*delta(2) + delta(2)*delta(3) + delta(3)*delta(1))/16.0_preal ! hourglass stabilization matrix
1972 
1973 !--------------------------------------------------------------------------------------------------
1974 ! init fields
1975  restartread: if (interface_restartinc > 0) then
1976  write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartinc, ' from file'
1977 
1978  write(filename,'(a,a,i0,a)') trim(getsolverjobname()),'_',worldrank,'.hdf5'
1979  filehandle = hdf5_openfile(filename)
1980  grouphandle = hdf5_opengroup(filehandle,'solver')
1981 
1982  call hdf5_read(grouphandle,f_aim, 'F_aim')
1983  call hdf5_read(grouphandle,f_aim_lastinc,'F_aim_lastInc')
1984  call hdf5_read(grouphandle,f_aimdot, 'F_aimDot')
1985  call hdf5_read(grouphandle,f, 'F')
1986  call hdf5_read(grouphandle,f_lastinc, 'F_lastInc')
1987  call hdf5_read(grouphandle,u_current, 'u')
1988  call hdf5_read(grouphandle,u_lastinc, 'u_lastInc')
1989 
1990  elseif (interface_restartinc == 0) then restartread
1991  f_lastinc = spread(spread(spread(math_i3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
1992  f = spread(spread(spread(math_i3,3,grid(1)),4,grid(2)),5,grid3)
1993  endif restartread
1994  materialpoint_f0 = reshape(f_lastinc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
1996  call utilities_constitutiveresponse(p_current,temp33_real,c_volavg,devnull, & ! stress field, stress avg, global average of stiffness and (min+max)/2
1997  f, & ! target F
1998  0.0_preal) ! time increment
1999  call dmdavecrestorearrayf90(mech_grid,solution_current,u_current,ierr)
2000  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2001  call dmdavecrestorearrayf90(mech_grid,solution_lastinc,u_lastinc,ierr)
2002  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2003 
2004  restartread2: if (interface_restartinc > 0) then
2005  write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartinc, ' from file'
2006  call hdf5_read(grouphandle,c_volavg, 'C_volAvg')
2007  call hdf5_read(grouphandle,c_volavglastinc,'C_volAvgLastInc')
2008 
2009  call hdf5_closegroup(grouphandle)
2010  call hdf5_closefile(filehandle)
2011 
2012  endif restartread2
2013 
2014 end subroutine grid_mech_fem_init
2015 
2016 
2017 !--------------------------------------------------------------------------------------------------
2019 !--------------------------------------------------------------------------------------------------
2020 function grid_mech_fem_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
2022 !--------------------------------------------------------------------------------------------------
2023 ! input data for solution
2024  character(len=*), intent(in) :: &
2025  incinfoin
2026  real(preal), intent(in) :: &
2027  timeinc, & !< time increment of current solution
2028  timeinc_old
2029  type(tboundarycondition), intent(in) :: &
2030  stress_bc
2031  type(rotation), intent(in) :: &
2032  rotation_bc
2033  type(tsolutionstate) :: &
2034  solution
2035 !--------------------------------------------------------------------------------------------------
2036 ! 1 Data
2037  integer(kind=selected_int_kind(5)) :: ierr
2038  integer(kind=selected_int_kind(5)) :: reason
2039 
2040  incinfo = incinfoin
2041 
2042 !--------------------------------------------------------------------------------------------------
2043 ! update stiffness (and gamma operator)
2044  s = utilities_maskedcompliance(rotation_bc,stress_bc%maskLogical,c_volavg)
2045 !--------------------------------------------------------------------------------------------------
2046 ! set module wide available data
2047  params%stress_mask = stress_bc%maskFloat
2048  params%stress_BC = stress_bc%values
2049  params%rotation_BC = rotation_bc
2050  params%timeinc = timeinc
2051  params%timeincOld = timeinc_old
2052 
2053 !--------------------------------------------------------------------------------------------------
2054 ! solve BVP
2055  call snessolve(mech_snes,petsc_null_vec,solution_current,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2056 
2057 !--------------------------------------------------------------------------------------------------
2058 ! check convergence
2059  call snesgetconvergedreason(mech_snes,reason,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2060 
2061  solution%converged = reason > 0
2062  solution%iterationsNeeded = totaliter
2063  solution%termIll = terminallyill
2064  terminallyill = .false.
2065 
2066 end function grid_mech_fem_solution
2067 
2068 
2069 !--------------------------------------------------------------------------------------------------
2073 !--------------------------------------------------------------------------------------------------
2074 subroutine grid_mech_fem_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,&
2075  deformation_BC,stress_BC,rotation_BC)
2077  logical, intent(in) :: &
2078  cutback, &
2079  guess
2080  real(preal), intent(in) :: &
2081  timeinc_old, &
2082  timeinc, &
2083  loadcasetime
2084  type(tboundarycondition), intent(in) :: &
2085  stress_bc, &
2086  deformation_bc
2087  type(rotation), intent(in) :: &
2088  rotation_bc
2089  integer(kind=selected_int_kind(5)) :: ierr
2090  real(kind=selected_real_kind(10)), pointer, dimension(:,:,:,:) :: &
2091  u_current,u_lastinc
2092 
2093  call dmdavecgetarrayf90(mech_grid,solution_current,u_current,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2094  call dmdavecgetarrayf90(mech_grid,solution_lastinc,u_lastinc,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2095 
2096  if (cutback) then
2098  else
2100 
2101  f_aimdot = merge(stress_bc%maskFloat*(f_aim-f_aim_lastinc)/timeinc_old, 0.0_preal, guess)
2103 
2104  !--------------------------------------------------------------------------------------------------
2105  ! calculate rate for aim
2106  if (deformation_bc%myType=='l') then ! calculate F_aimDot from given L and current F
2107  f_aimdot = &
2108  f_aimdot + deformation_bc%maskFloat * matmul(deformation_bc%values, f_aim_lastinc)
2109  elseif(deformation_bc%myType=='fdot') then ! F_aimDot is prescribed
2110  f_aimdot = &
2111  f_aimdot + deformation_bc%maskFloat * deformation_bc%values
2112  elseif (deformation_bc%myType=='f') then ! aim at end of load case is prescribed
2113  f_aimdot = &
2114  f_aimdot + deformation_bc%maskFloat * (deformation_bc%values - f_aim_lastinc)/loadcasetime
2115  endif
2116 
2117  if (guess) then
2118  call vecwaxpy(solution_rate,-1.0_preal,solution_lastinc,solution_current,ierr)
2119  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2120  call vecscale(solution_rate,1.0_preal/timeinc_old,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2121  else
2122  call vecset(solution_rate,0.0_preal,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2123  endif
2124  call veccopy(solution_current,solution_lastinc,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2125 
2126  f_lastinc = f
2127 
2128  materialpoint_f0 = reshape(f, [3,3,1,product(grid(1:2))*grid3])
2129  endif
2130 
2131 !--------------------------------------------------------------------------------------------------
2132 ! update average and local deformation gradients
2133  f_aim = f_aim_lastinc + f_aimdot * timeinc
2134  call vecaxpy(solution_current,timeinc,solution_rate,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2135 
2136  call dmdavecrestorearrayf90(mech_grid,solution_current,u_current,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2137  call dmdavecrestorearrayf90(mech_grid,solution_lastinc,u_lastinc,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2138 
2139 end subroutine grid_mech_fem_forward
2140 
2141 
2142 !--------------------------------------------------------------------------------------------------
2144 !--------------------------------------------------------------------------------------------------
2145 subroutine grid_mech_fem_updatecoords
2148 
2149 end subroutine grid_mech_fem_updatecoords
2150 
2151 
2152 !--------------------------------------------------------------------------------------------------
2154 !--------------------------------------------------------------------------------------------------
2155 subroutine grid_mech_fem_restartwrite
2157  integer(kind=selected_int_kind(5)) :: ierr
2158  integer(HID_T) :: filehandle, grouphandle
2159  real(kind=selected_real_kind(10)), dimension(:,:,:,:), pointer :: u_current,u_lastinc
2160  character(len=pStringLen) :: filename
2161 
2162  call dmdavecgetarrayf90(mech_grid,solution_current,u_current,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2163  call dmdavecgetarrayf90(mech_grid,solution_lastinc,u_lastinc,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2164 
2165  write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
2166 
2167  write(filename,'(a,a,i0,a)') trim(getsolverjobname()),'_',worldrank,'.hdf5'
2168  filehandle = hdf5_openfile(filename,'w')
2169  grouphandle = hdf5_addgroup(filehandle,'solver')
2170 
2171  call hdf5_write(grouphandle,f_aim, 'F_aim')
2172  call hdf5_write(grouphandle,f_aim_lastinc,'F_aim_lastInc')
2173  call hdf5_write(grouphandle,f_aimdot, 'F_aimDot')
2174  call hdf5_write(grouphandle,f, 'F')
2175  call hdf5_write(grouphandle,f_lastinc, 'F_lastInc')
2176  call hdf5_write(grouphandle,u_current, 'u')
2177  call hdf5_write(grouphandle,u_lastinc, 'u_lastInc')
2178 
2179  call hdf5_write(grouphandle,c_volavg, 'C_volAvg')
2180  call hdf5_write(grouphandle,c_volavglastinc,'C_volAvgLastInc')
2181 
2182  call hdf5_closegroup(grouphandle)
2183  call hdf5_closefile(filehandle)
2184 
2185  call dmdavecrestorearrayf90(mech_grid,solution_current,u_current,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2186  call dmdavecrestorearrayf90(mech_grid,solution_lastinc,u_lastinc,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2187 
2188 end subroutine grid_mech_fem_restartwrite
2189 
2190 
2191 !--------------------------------------------------------------------------------------------------
2193 !--------------------------------------------------------------------------------------------------
2194 subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,ierr)
2196  type(tsnes) :: snes_local
2197  integer(kind=selected_int_kind(5)), intent(in) :: PETScIter
2198  real(kind=selected_real_kind(10)), intent(in) :: &
2199  devnull1, &
2200  devnull2, &
2201  fnorm
2202  integer(kind=selected_int_kind(5)) :: reason
2203  integer(kind=selected_int_kind(10)) :: dummy
2204  integer(kind=selected_int_kind(5)) :: ierr
2205  real(pReal) :: &
2206  err_div, &
2207  divTol, &
2208  BCTol
2209 
2210  err_div = fnorm*sqrt(wgt)*geomsize(1)/scaledgeomsize(1)/detj
2211  divtol = max(maxval(abs(p_av))*err_div_tolrel ,err_div_tolabs)
2212  bctol = max(maxval(abs(p_av))*err_stress_tolrel,err_stress_tolabs)
2213 
2214  if ((totaliter >= itmin .and. &
2215  all([ err_div/divtol, &
2216  err_bc /bctol ] < 1.0_preal)) &
2217  .or. terminallyill) then
2218  reason = 1
2219  elseif (totaliter >= itmax) then
2220  reason = -1
2221  else
2222  reason = 0
2223  endif
2224 
2225 !--------------------------------------------------------------------------------------------------
2226 ! report
2227  write(6,'(1/,a)') ' ... reporting .............................................................'
2228  write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
2229  err_div/divtol, ' (',err_div,' / m, tol = ',divtol,')'
2230  write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
2231  err_bc/bctol, ' (',err_bc, ' Pa, tol = ',bctol,')'
2232  write(6,'(/,a)') ' ==========================================================================='
2233  flush(6)
2234 
2235 end subroutine converged
2236 
2237 
2238 !--------------------------------------------------------------------------------------------------
2240 !--------------------------------------------------------------------------------------------------
2241 subroutine formresidual(da_local,x_local, &
2242  f_local,dummy,ierr)
2244  type(tdm) :: da_local
2245  type(tvec) :: x_local, f_local
2246  real(kind=selected_real_kind(10)), pointer,dimension(:,:,:,:) :: x_scal, f_scal
2247  real(kind=selected_real_kind(10)), dimension(8,3) :: x_elem, f_elem
2248  integer(kind=selected_int_kind(5)) :: i, ii, j, jj, k, kk, ctr, ele
2249  real(pReal), dimension(3,3) :: &
2250  deltaF_aim
2251  integer(kind=selected_int_kind(5)) :: &
2252  PETScIter, &
2253  nfuncs
2254  integer(kind=selected_int_kind(10)) :: dummy
2255  integer(kind=selected_int_kind(5)) :: ierr
2256  real(pReal), dimension(3,3,3,3) :: devNull
2257 
2258 
2259  call snesgetnumberfunctionevals(mech_snes,nfuncs,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2260  call snesgetiterationnumber(mech_snes,petsciter,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2261 
2262  if (nfuncs == 0 .and. petsciter == 0) totaliter = -1 ! new increment
2263 
2264 !--------------------------------------------------------------------------------------------------
2265 ! begin of new iteration
2266  newiteration: if (totaliter <= petsciter) then
2267  totaliter = totaliter + 1
2268  write(6,'(1x,a,3(a,i0))') trim(incinfo), ' @ Iteration ', itmin, '≤',totaliter+1, '≤', itmax
2270  write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
2271  ' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(f_aim,active=.true.))
2272  write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
2273  ' deformation gradient aim =', transpose(f_aim)
2274  flush(6)
2275  endif newiteration
2276 
2277 !--------------------------------------------------------------------------------------------------
2278 ! get deformation gradient
2279  call dmdavecgetarrayf90(da_local,x_local,x_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2280  do k = zstart, zend; do j = ystart, yend; do i = xstart, xend
2281  ctr = 0
2282  do kk = 0, 1; do jj = 0, 1; do ii = 0, 1
2283  ctr = ctr + 1
2284  x_elem(ctr,1:3) = x_scal(0:2,i+ii,j+jj,k+kk)
2285  enddo; enddo; enddo
2286  ii = i-xstart+1; jj = j-ystart+1; kk = k-zstart+1
2287  f(1:3,1:3,ii,jj,kk) = params%rotation_BC%rotate(f_aim,active=.true.) + transpose(matmul(bmat,x_elem))
2288  enddo; enddo; enddo
2289  call dmdavecrestorearrayf90(da_local,x_local,x_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2290 
2291 !--------------------------------------------------------------------------------------------------
2292 ! evaluate constitutive response
2294  p_av,c_volavg,devnull, &
2295  f,params%timeinc,params%rotation_BC)
2296  call mpi_allreduce(mpi_in_place,terminallyill,1,mpi_logical,mpi_lor,petsc_comm_world,ierr)
2297 
2298 !--------------------------------------------------------------------------------------------------
2299 ! stress BC handling
2301  deltaf_aim = math_mul3333xx33(s, p_av - params%stress_BC)
2302  f_aim = f_aim - deltaf_aim
2303  err_bc = maxval(abs(params%stress_mask * (p_av - params%stress_BC))) ! mask = 0.0 when no stress bc
2304 
2305 !--------------------------------------------------------------------------------------------------
2306 ! constructing residual
2307  call vecset(f_local,0.0_preal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2308  call dmdavecgetarrayf90(da_local,f_local,f_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2309  call dmdavecgetarrayf90(da_local,x_local,x_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2310  ele = 0
2311  do k = zstart, zend; do j = ystart, yend; do i = xstart, xend
2312  ctr = 0
2313  do kk = 0, 1; do jj = 0, 1; do ii = 0, 1
2314  ctr = ctr + 1
2315  x_elem(ctr,1:3) = x_scal(0:2,i+ii,j+jj,k+kk)
2316  enddo; enddo; enddo
2317  ii = i-xstart+1; jj = j-ystart+1; kk = k-zstart+1
2318  ele = ele + 1
2319  f_elem = matmul(transpose(bmat),transpose(p_current(1:3,1:3,ii,jj,kk)))*detj + &
2320  matmul(hgmat,x_elem)*(materialpoint_dpdf(1,1,1,1,1,ele) + &
2321  materialpoint_dpdf(2,2,2,2,1,ele) + &
2322  materialpoint_dpdf(3,3,3,3,1,ele))/3.0_preal
2323  ctr = 0
2324  do kk = 0, 1; do jj = 0, 1; do ii = 0, 1
2325  ctr = ctr + 1
2326  f_scal(0:2,i+ii,j+jj,k+kk) = f_scal(0:2,i+ii,j+jj,k+kk) + f_elem(ctr,1:3)
2327  enddo; enddo; enddo
2328  enddo; enddo; enddo
2329  call dmdavecrestorearrayf90(da_local,x_local,x_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2330  call dmdavecrestorearrayf90(da_local,f_local,f_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2331 
2332 !--------------------------------------------------------------------------------------------------
2333 ! applying boundary conditions
2334  call dmdavecgetarrayf90(da_local,f_local,f_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2335  if (zstart == 0) then
2336  f_scal(0:2,xstart,ystart,zstart) = 0.0
2337  f_scal(0:2,xend+1,ystart,zstart) = 0.0
2338  f_scal(0:2,xstart,yend+1,zstart) = 0.0
2339  f_scal(0:2,xend+1,yend+1,zstart) = 0.0
2340  endif
2341  if (zend + 1 == grid(3)) then
2342  f_scal(0:2,xstart,ystart,zend+1) = 0.0
2343  f_scal(0:2,xend+1,ystart,zend+1) = 0.0
2344  f_scal(0:2,xstart,yend+1,zend+1) = 0.0
2345  f_scal(0:2,xend+1,yend+1,zend+1) = 0.0
2346  endif
2347  call dmdavecrestorearrayf90(da_local,f_local,f_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2348 
2349 end subroutine formresidual
2350 
2351 
2352 !--------------------------------------------------------------------------------------------------
2354 !--------------------------------------------------------------------------------------------------
2355 subroutine formjacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
2357  type(tdm) :: da_local
2358  type(tvec) :: x_local, coordinates
2359  type(tmat) :: Jac_pre, Jac
2360  integer(kind=selected_int_kind(5)),dimension(4,24) :: row, col
2361  real(kind=selected_real_kind(10)),pointer,dimension(:,:,:,:) :: x_scal
2362  real(kind=selected_real_kind(10)),dimension(24,24) :: k_ele
2363  real(kind=selected_real_kind(10)),dimension(9,24) :: bmatfull
2364  integer(kind=selected_int_kind(5)) :: i, ii, j, jj, k, kk, ctr, ele
2365  integer(kind=selected_int_kind(5)),dimension(3),parameter :: rows = [0, 1, 2]
2366  real(kind=selected_real_kind(10)) :: diag
2367  integer(kind=selected_int_kind(10)) :: dummy
2368  type(tmatnullspace) :: matnull
2369  integer(kind=selected_int_kind(5)) :: ierr
2370 
2371  bmatfull = 0.0
2372  bmatfull(1:3,1 :8 ) = bmat
2373  bmatfull(4:6,9 :16) = bmat
2374  bmatfull(7:9,17:24) = bmat
2375  call matsetoption(jac,mat_keep_nonzero_pattern,petsc_true,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2376  call matsetoption(jac,mat_new_nonzero_allocation_err,petsc_false,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2377  call matzeroentries(jac,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2378  ele = 0
2379  do k = zstart, zend; do j = ystart, yend; do i = xstart, xend
2380  ctr = 0
2381  do kk = 0, 1; do jj = 0, 1; do ii = 0, 1
2382  ctr = ctr + 1
2383  col(3,ctr ) = i+ii
2384  col(2,ctr ) = j+jj
2385  col(1,ctr ) = k+kk
2386  col(4,ctr ) = 0
2387  col(3,ctr+8 ) = i+ii
2388  col(2,ctr+8 ) = j+jj
2389  col(1,ctr+8 ) = k+kk
2390  col(4,ctr+8 ) = 1
2391  col(3,ctr+16) = i+ii
2392  col(2,ctr+16) = j+jj
2393  col(1,ctr+16) = k+kk
2394  col(4,ctr+16) = 2
2395  enddo; enddo; enddo
2396  row = col
2397  ele = ele + 1
2398  k_ele = 0.0
2399  k_ele(1 :8 ,1 :8 ) = hgmat*(materialpoint_dpdf(1,1,1,1,1,ele) + &
2400  materialpoint_dpdf(2,2,2,2,1,ele) + &
2401  materialpoint_dpdf(3,3,3,3,1,ele))/3.0_preal
2402  k_ele(9 :16,9 :16) = hgmat*(materialpoint_dpdf(1,1,1,1,1,ele) + &
2403  materialpoint_dpdf(2,2,2,2,1,ele) + &
2404  materialpoint_dpdf(3,3,3,3,1,ele))/3.0_preal
2405  k_ele(17:24,17:24) = hgmat*(materialpoint_dpdf(1,1,1,1,1,ele) + &
2406  materialpoint_dpdf(2,2,2,2,1,ele) + &
2407  materialpoint_dpdf(3,3,3,3,1,ele))/3.0_preal
2408  k_ele = k_ele + &
2409  matmul(transpose(bmatfull), &
2410  matmul(reshape(reshape(materialpoint_dpdf(1:3,1:3,1:3,1:3,1,ele), &
2411  shape=[3,3,3,3], order=[2,1,4,3]),shape=[9,9]),bmatfull))*detj
2412  call matsetvaluesstencil(jac,24,row,24,col,k_ele,add_values,ierr)
2413  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2414  enddo; enddo; enddo
2415  call matassemblybegin(jac,mat_final_assembly,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2416  call matassemblyend(jac,mat_final_assembly,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2417  call matassemblybegin(jac_pre,mat_final_assembly,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2418  call matassemblyend(jac_pre,mat_final_assembly,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2419 
2420 !--------------------------------------------------------------------------------------------------
2421 ! applying boundary conditions
2422  diag = (c_volavg(1,1,1,1)/delta(1)**2.0_preal + &
2423  c_volavg(2,2,2,2)/delta(2)**2.0_preal + &
2424  c_volavg(3,3,3,3)/delta(3)**2.0_preal)*detj
2425  call matzerorowscolumns(jac,size(rows),rows,diag,petsc_null_vec,petsc_null_vec,ierr)
2426  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2427  call dmgetglobalvector(da_local,coordinates,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2428  call dmdavecgetarrayf90(da_local,coordinates,x_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2429  ele = 0
2430  do k = zstart, zend; do j = ystart, yend; do i = xstart, xend
2431  ele = ele + 1
2432  x_scal(0:2,i,j,k) = discretization_ipcoords(1:3,ele)
2433  enddo; enddo; enddo
2434  call dmdavecrestorearrayf90(da_local,coordinates,x_scal,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif ! initialize to undeformed coordinates (ToDo: use ip coordinates)
2435  call matnullspacecreaterigidbody(coordinates,matnull,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif ! get rigid body deformation modes
2436  call dmrestoreglobalvector(da_local,coordinates,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2437  call matsetnullspace(jac,matnull,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2438  call matsetnearnullspace(jac,matnull,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2439  call matnullspacedestroy(matnull,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2440 
2441 end subroutine formjacobian
2442 
2443 end module grid_mech_fem
hdf5_utilities::hdf5_addgroup
integer(hid_t) function hdf5_addgroup(fileHandle, groupName)
adds a new group to the fileHandle
Definition: HDF5_utilities.f90:182
homogenization::materialpoint_dpdf
real(preal), dimension(:,:,:,:,:,:), allocatable, public materialpoint_dpdf
tangent of first P–K stress at IP
Definition: homogenization.f90:40
grid_mech_fem::grid_mech_fem_forward
subroutine, public grid_mech_fem_forward(cutBack, guess, timeinc, timeinc_old, loadCaseTime, deformation_BC, stress_BC, rotation_BC)
forwarding routine
Definition: grid_mech_FEM.f90:2076
grid_mech_fem::zstart
integer(kind=selected_int_kind(5)), private zstart
Definition: grid_mech_FEM.f90:1838
hdf5_utilities::hdf5_closegroup
subroutine hdf5_closegroup(group_id)
close a group
Definition: HDF5_utilities.f90:251
grid_mech_fem::f_aimdot
real(preal), dimension(3, 3), private f_aimdot
assumed rate of average deformation gradient
Definition: grid_mech_FEM.f90:1842
grid_mech_fem::err_bc
real(preal), private err_bc
deviation from stress BC
Definition: grid_mech_FEM.f90:1856
grid_mech_fem::totaliter
integer, private totaliter
total iteration in current increment
Definition: grid_mech_FEM.f90:1859
grid_mech_fem::incinfo
character(len=pstringlen), private incinfo
time and increment information
Definition: grid_mech_FEM.f90:1849
homogenization::materialpoint_f0
real(preal), dimension(:,:,:,:), allocatable, public materialpoint_f0
def grad of IP at start of FE increment
Definition: homogenization.f90:36
grid_mech_fem::f_aim_lastiter
real(preal), dimension(3, 3), private f_aim_lastiter
Definition: grid_mech_FEM.f90:1842
debug::debug_level
integer, dimension(debug_maxntype+2), public, protected debug_level
Definition: debug.f90:48
grid_mech_fem::p_current
real(preal), dimension(:,:,:,:,:), allocatable, private p_current
Definition: grid_mech_FEM.f90:1833
grid_mech_fem::yend
integer(kind=selected_int_kind(5)), private yend
Definition: grid_mech_FEM.f90:1838
hdf5_utilities
Definition: HDF5_utilities.f90:11
hdf5_utilities::hdf5_openfile
integer(hid_t) function hdf5_openfile(fileName, mode, parallel)
open and initializes HDF5 output file
Definition: HDF5_utilities.f90:119
grid_mech_fem::converged
subroutine converged(snes_local, PETScIter, devNull1, devNull2, fnorm, reason, dummy, ierr)
convergence check
Definition: grid_mech_FEM.f90:2195
grid_mech_fem::xend
integer(kind=selected_int_kind(5)), private xend
Definition: grid_mech_FEM.f90:1838
spectral_utilities::tsolutionparams
Definition: spectral_utilities.f90:1557
grid_mech_fem::formjacobian
subroutine formjacobian(da_local, x_local, Jac_pre, Jac, dummy, ierr)
forms the FEM stiffness matrix
Definition: grid_mech_FEM.f90:2356
spectral_utilities
Utilities used by the different spectral solver variants.
Definition: spectral_utilities.f90:10
grid_mech_fem::solution_current
type(tvec), private solution_current
Definition: grid_mech_FEM.f90:1829
numerics::worldsize
integer, public, protected worldsize
MPI worldsize (/=1 for MPI simulations only)
Definition: numerics.f90:1470
grid_mech_fem::solution_rate
type(tvec), private solution_rate
Definition: grid_mech_FEM.f90:1829
grid_mech_fem::bmat
real(preal), dimension(3, 8), private bmat
Definition: grid_mech_FEM.f90:1836
discretization::discretization_ipcoords
real(preal), dimension(:,:), allocatable, public, protected discretization_ipcoords
Definition: discretization.f90:25
discretization_grid::grid3
integer, public, protected grid3
(local) grid in 3rd direction
Definition: discretization_grid.f90:1478
grid_mech_fem::ystart
integer(kind=selected_int_kind(5)), private ystart
Definition: grid_mech_FEM.f90:1838
grid_mech_fem::f
real(preal), dimension(:,:,:,:,:), allocatable, private f
Definition: grid_mech_FEM.f90:1833
grid_mech_fem::mech_snes
type(tsnes), private mech_snes
Definition: grid_mech_FEM.f90:1828
discretization_grid
Parse geometry file to set up discretization and geometry for nonlocal model.
Definition: discretization_grid.f90:11
prec
setting precision for real and int type
Definition: prec.f90:13
discretization_grid::geomsize
real(preal), dimension(3), public, protected geomsize
(global) physical size
Definition: discretization_grid.f90:1481
math::math_mul3333xx33
pure real(preal) function, dimension(3, 3) math_mul3333xx33(A, B)
matrix double contraction 3333x33 = 33 (ijkl,kl)
Definition: math.f90:368
grid_mech_fem::params
type(tsolutionparams), private params
Definition: grid_mech_FEM.f90:1823
discretization
spatial discretization
Definition: discretization.f90:9
grid_mech_fem
Grid solver for mechanics: FEM.
Definition: grid_mech_FEM.f90:11
grid_mech_fem::detj
real(preal), private detj
Definition: grid_mech_FEM.f90:1834
grid_mech_fem::f_aim
real(preal), dimension(3, 3), private f_aim
current prescribed deformation gradient
Definition: grid_mech_FEM.f90:1842
grid_mech_fem::grid_mech_fem_updatecoords
subroutine, public grid_mech_fem_updatecoords
Age.
Definition: grid_mech_FEM.f90:2146
grid_mech_fem::mech_grid
type(tdm), private mech_grid
Definition: grid_mech_FEM.f90:1827
hdf5_utilities::hdf5_read
reads integer or float data of defined shape from file ! ToDo: order of arguments wrong
Definition: HDF5_utilities.f90:29
grid_mech_fem::formresidual
subroutine formresidual(da_local, x_local, f_local, dummy, ierr)
forms the residual vector
Definition: grid_mech_FEM.f90:2243
homogenization
homogenization manager, organizing deformation partitioning and stress homogenization
Definition: homogenization.f90:11
grid_mech_fem::s
real(preal), dimension(3, 3, 3, 3), private s
current compliance (filled up with zeros)
Definition: grid_mech_FEM.f90:1851
prec::preal
integer, parameter preal
number with 15 significant digits, up to 1e+-307 (typically 64 bit)
Definition: prec.f90:20
debug
Reading in and interpretating the debugging settings for the various modules.
Definition: debug.f90:12
spectral_utilities::scaledgeomsize
real(preal), dimension(3), public, protected scaledgeomsize
scaled geometry size for calculation of divergence
Definition: spectral_utilities.f90:1492
grid_mech_fem::f_aim_lastinc
real(preal), dimension(3, 3), private f_aim_lastinc
previous average deformation gradient
Definition: grid_mech_FEM.f90:1842
grid_mech_fem::grid_mech_fem_init
subroutine, public grid_mech_fem_init
allocates all necessary fields and fills them with data, potentially from restart info
Definition: grid_mech_FEM.f90:1875
grid_mech_fem::p_av
real(preal), dimension(3, 3), private p_av
average 1st Piola–Kirchhoff stress
Definition: grid_mech_FEM.f90:1842
spectral_utilities::utilities_updatecoords
subroutine, public utilities_updatecoords(F)
calculate coordinates in current configuration for given defgrad field
Definition: spectral_utilities.f90:2447
grid_mech_fem::xstart
integer(kind=selected_int_kind(5)), private xstart
Definition: grid_mech_FEM.f90:1838
grid_mech_fem::f_lastinc
real(preal), dimension(:,:,:,:,:), allocatable, private f_lastinc
Definition: grid_mech_FEM.f90:1833
grid_mech_fem::solution_lastinc
type(tvec), private solution_lastinc
Definition: grid_mech_FEM.f90:1829
grid_mech_fem::grid_mech_fem_restartwrite
subroutine, public grid_mech_fem_restartwrite
Write current solver and constitutive data for restart to file.
Definition: grid_mech_FEM.f90:2156
numerics::itmax
integer, public, protected itmax
maximum number of iterations
Definition: numerics.f90:1495
spectral_utilities::utilities_constitutiveresponse
subroutine, public utilities_constitutiveresponse(P, P_av, C_volAvg, C_minmaxAvg, F, timeinc, rotation_BC)
calculate constitutive response from materialpoint_F0 to F during timeinc
Definition: spectral_utilities.f90:2266
grid_mech_fem::delta
real(preal), dimension(3), private delta
Definition: grid_mech_FEM.f90:1835
grid_mech_fem::grid_mech_fem_solution
type(tsolutionstate) function, public grid_mech_fem_solution(incInfoIn, timeinc, timeinc_old, stress_BC, rotation_BC)
solution for the FEM scheme with internal iterations
Definition: grid_mech_FEM.f90:2021
damask_interface::interface_restartinc
integer, public, protected interface_restartinc
Increment at which calculation starts.
Definition: DAMASK_interface.f90:36
damask_interface
Interfacing between the 1-based solvers and the material subroutines provided by DAMASK.
Definition: DAMASK_interface.f90:22
debug::debug_spectral
integer, parameter, public debug_spectral
Definition: debug.f90:32
grid_mech_fem::c_volavg
real(preal), dimension(3, 3, 3, 3), private c_volavg
current volume average stiffness
Definition: grid_mech_FEM.f90:1851
hdf5_utilities::hdf5_closefile
subroutine hdf5_closefile(fileHandle)
close the opened HDF5 output file
Definition: HDF5_utilities.f90:167
numerics::worldrank
integer, public, protected worldrank
MPI worldrank (/=0 for MPI simulations only)
Definition: numerics.f90:1470
math
Mathematical library, including random number generation and tensor representations.
Definition: math.f90:12
fesolving::terminallyill
logical terminallyill
at least one material point is terminally ill
Definition: FEsolving.f90:15
spectral_utilities::wgt
real(preal), public, protected wgt
weighting factor 1/Nelems
Definition: spectral_utilities.f90:1490
discretization_grid::grid
integer, dimension(3), public, protected grid
(global) grid
Definition: discretization_grid.f90:1476
numerics::itmin
integer, public, protected itmin
minimum number of iterations
Definition: numerics.f90:1495
debug::debug_spectralrotation
integer, parameter, public debug_spectralrotation
Definition: debug.f90:25
damask_interface::getsolverjobname
character(len=:) function, allocatable, public getsolverjobname()
solver job name (no extension) as combination of geometry and load case name
Definition: DAMASK_interface.f90:1737
spectral_utilities::utilities_maskedcompliance
real(preal) function, dimension(3, 3, 3, 3), public utilities_maskedcompliance(rot_BC, mask_stress, C)
calculates mask compliance tensor used to adjust F to fullfill stress BC
Definition: spectral_utilities.f90:2135
spectral_utilities::tboundarycondition
set of parameters defining a boundary condition
Definition: spectral_utilities.f90:1537
grid_mech_fem::hgmat
real(preal), dimension(8, 8), private hgmat
Definition: grid_mech_FEM.f90:1837
numerics
Managing of parameters related to numerics.
Definition: numerics.f90:10
hdf5_utilities::hdf5_opengroup
integer(hid_t) function hdf5_opengroup(fileHandle, groupName)
open an existing group of a file
Definition: HDF5_utilities.f90:215
spectral_utilities::tsolutionstate
return type of solution from spectral solver variants
Definition: spectral_utilities.f90:1528
fesolving
global variables for flow control
Definition: FEsolving.f90:10
grid_mech_fem::zend
integer(kind=selected_int_kind(5)), private zend
Definition: grid_mech_FEM.f90:1838
grid_mech_fem::c_volavglastinc
real(preal), dimension(3, 3, 3, 3), private c_volavglastinc
previous volume average stiffness
Definition: grid_mech_FEM.f90:1851
hdf5_utilities::hdf5_write
writes integer or real data of defined shape to file ! ToDo: order of arguments wrong
Definition: HDF5_utilities.f90:52
math::math_i3
real(preal), dimension(3, 3), parameter math_i3
3x3 Identity
Definition: math.f90:32