DAMASK with grid solvers  Revision: v2.0.3-2204-gdb1f2151
The Düsseldorf Advanced Material Simulation Kit with Grid Solvers
grid_thermal_spectral.f90
Go to the documentation of this file.
1 # 1 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/grid/grid_thermal_spectral.f90"
2 # 1 "<built-in>"
3 # 1 "<command-line>"
4 # 1 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/grid/grid_thermal_spectral.f90"
5 !--------------------------------------------------------------------------------------------------
10 !--------------------------------------------------------------------------------------------------
11 module grid_thermal_spectral
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 
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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_thermal_spectral.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_thermal_spectral.f90" 2
1803  use petscdmda
1804  use petscsnes
1805 
1806  use prec
1807  use spectral_utilities
1808  use discretization_grid
1809  use thermal_conduction
1810  use numerics
1811  use material
1812 
1813  implicit none
1814  private
1815 
1816 !--------------------------------------------------------------------------------------------------
1817 ! derived types
1818  type(tsolutionparams), private :: params
1819 
1820 !--------------------------------------------------------------------------------------------------
1821 ! 1 data
1822  type(tsnes), private :: thermal_snes
1823  type(tvec), private :: solution_vec
1824  integer(kind=selected_int_kind(5)), private :: xstart, xend, ystart, yend, zstart, zend
1825  real(preal), private, dimension(:,:,:), allocatable :: &
1826  t_current, & !< field of current temperature
1827  t_lastinc, & !< field of previous temperature
1828  t_staginc
1829 
1830 !--------------------------------------------------------------------------------------------------
1831 ! reference diffusion tensor, mobility etc.
1832  integer, private :: totaliter = 0
1833  real(preal), dimension(3,3), private :: k_ref
1834  real(preal), private :: mu_ref
1835 
1836  public :: &
1837  grid_thermal_spectral_init, &
1838  grid_thermal_spectral_solution, &
1839  grid_thermal_spectral_forward
1840  private :: &
1841  formresidual
1842 
1843 contains
1844 
1845 !--------------------------------------------------------------------------------------------------
1847 ! ToDo: Restart not implemented
1848 !--------------------------------------------------------------------------------------------------
1849 subroutine grid_thermal_spectral_init
1850 
1851  integer(kind=selected_int_kind(5)), dimension(0:worldsize-1) :: localk
1852  integer :: i, j, k, cell
1853  type(tdm) :: thermal_grid
1854  real(kind=selected_real_kind(10)), dimension(:,:,:), pointer :: x_scal
1855  integer(kind=selected_int_kind(5)) :: ierr
1856 
1857  write(6,'(/,a)') ' <<<+- grid_thermal_spectral init -+>>>'
1858 
1859  write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
1860  write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
1861 
1862 !--------------------------------------------------------------------------------------------------
1863 ! set default and user defined options for 1
1864  call petscoptionsinsertstring(petsc_null_options,'-thermal_snes_type ngmres',ierr)
1865  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1866  call petscoptionsinsertstring(petsc_null_options,trim(petsc_options),ierr)
1867  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1868 
1869 !--------------------------------------------------------------------------------------------------
1870 ! initialize solver specific parts of 1
1871  call snescreate(petsc_comm_world,thermal_snes,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1872  call snessetoptionsprefix(thermal_snes,'thermal_',ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1873  localk = 0
1874  localk(worldrank) = grid3
1875  call mpi_allreduce(mpi_in_place,localk,worldsize,mpi_integer,mpi_sum,petsc_comm_world,ierr)
1876  call dmdacreate3d(petsc_comm_world, &
1877  dm_boundary_none, dm_boundary_none, dm_boundary_none, & ! cut off stencil at boundary
1878  dmda_stencil_box, & ! Moore (26) neighborhood around central point
1879  grid(1),grid(2),grid(3), & ! global grid
1880  1, 1, worldsize, &
1881  1, 0, & ! #dof (thermal phase field), ghost boundary width (domain overlap)
1882  [grid(1)],[grid(2)],localk, & ! local grid
1883  thermal_grid,ierr) ! handle, error
1884  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1885  call snessetdm(thermal_snes,thermal_grid,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif ! connect snes to da
1886  call dmsetfromoptions(thermal_grid,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1887  call dmsetup(thermal_grid,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1888  call dmcreateglobalvector(thermal_grid,solution_vec,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif ! global solution vector (grid x 1, i.e. every def grad tensor)
1889  call dmdasnessetfunctionlocal(thermal_grid,insert_values,formresidual,petsc_null_snes,ierr) ! residual vector of same shape as solution vector
1890  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1891  call snessetfromoptions(thermal_snes,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif ! pull it all together with additional CLI arguments
1892 
1893 !--------------------------------------------------------------------------------------------------
1894 ! init fields
1895  call dmdagetcorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
1896  if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1897  xend = xstart + xend - 1
1898  yend = ystart + yend - 1
1899  zend = zstart + zend - 1
1900  allocate(t_current(grid(1),grid(2),grid3), source=0.0_preal)
1901  allocate(t_lastinc(grid(1),grid(2),grid3), source=0.0_preal)
1902  allocate(t_staginc(grid(1),grid(2),grid3), source=0.0_preal)
1903  cell = 0
1904  do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
1905  cell = cell + 1
1906  t_current(i,j,k) = temperature(material_homogenizationat(cell))% &
1907  p(thermalmapping(material_homogenizationat(cell))%p(1,cell))
1908  t_lastinc(i,j,k) = t_current(i,j,k)
1909  t_staginc(i,j,k) = t_current(i,j,k)
1910  enddo; enddo; enddo
1911  call dmdavecgetarrayf90(thermal_grid,solution_vec,x_scal,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1912  x_scal(xstart:xend,ystart:yend,zstart:zend) = t_current
1913  call dmdavecrestorearrayf90(thermal_grid,solution_vec,x_scal,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1914 
1915  call updatereference
1916 
1917 end subroutine grid_thermal_spectral_init
1918 
1919 
1920 !--------------------------------------------------------------------------------------------------
1922 !--------------------------------------------------------------------------------------------------
1923 function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
1924 
1925  real(preal), intent(in) :: &
1926  timeinc, & !< increment in time for current solution
1927  timeinc_old
1928  integer :: i, j, k, cell
1929  type(tsolutionstate) :: solution
1930  integer(kind=selected_int_kind(5)) :: devnull
1931  real(kind=selected_real_kind(10)) :: t_min, t_max, stagnorm, solnnorm
1932 
1933  integer(kind=selected_int_kind(5)) :: ierr
1934  integer(kind=selected_int_kind(5)) :: reason
1935 
1936  solution%converged =.false.
1937 
1938 !--------------------------------------------------------------------------------------------------
1939 ! set module wide availabe data
1940  params%timeinc = timeinc
1941  params%timeincOld = timeinc_old
1942 
1943  call snessolve(thermal_snes,petsc_null_vec,solution_vec,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1944  call snesgetconvergedreason(thermal_snes,reason,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1945 
1946  if (reason < 1) then
1947  solution%converged = .false.
1948  solution%iterationsNeeded = itmax
1949  else
1950  solution%converged = .true.
1951  solution%iterationsNeeded = totaliter
1952  endif
1953  stagnorm = maxval(abs(t_current - t_staginc))
1954  solnnorm = maxval(abs(t_current))
1955  call mpi_allreduce(mpi_in_place,stagnorm,1,mpi_double,mpi_max,petsc_comm_world,ierr)
1956  call mpi_allreduce(mpi_in_place,solnnorm,1,mpi_double,mpi_max,petsc_comm_world,ierr)
1957  t_staginc = t_current
1958  solution%stagConverged = stagnorm < max(err_thermal_tolabs, err_thermal_tolrel*solnnorm)
1959 
1960 !--------------------------------------------------------------------------------------------------
1961 ! updating thermal state
1962  cell = 0
1963  do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
1964  cell = cell + 1
1965  call thermal_conduction_puttemperatureanditsrate(t_current(i,j,k), &
1966  (t_current(i,j,k)-t_lastinc(i,j,k))/params%timeinc, &
1967  1,cell)
1968  enddo; enddo; enddo
1969 
1970  call vecmin(solution_vec,devnull,t_min,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1971  call vecmax(solution_vec,devnull,t_max,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
1972  if (solution%converged) &
1973  write(6,'(/,a)') ' ... thermal conduction converged ..................................'
1974  write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
1975  t_min, t_max, stagnorm
1976  write(6,'(/,a)') ' ==========================================================================='
1977  flush(6)
1978 
1979 end function grid_thermal_spectral_solution
1980 
1981 
1982 !--------------------------------------------------------------------------------------------------
1984 !--------------------------------------------------------------------------------------------------
1985 subroutine grid_thermal_spectral_forward(cutBack)
1986 
1987  logical, intent(in) :: cutback
1988  integer :: i, j, k, cell
1989  type(tdm) :: dm_local
1990  real(kind=selected_real_kind(10)), dimension(:,:,:), pointer :: x_scal
1991  integer(kind=selected_int_kind(5)) :: ierr
1992 
1993  if (cutback) then
1994  t_current = t_lastinc
1995  t_staginc = t_lastinc
1996 
1997 !--------------------------------------------------------------------------------------------------
1998 ! reverting thermal field state
1999  cell = 0
2000  call snesgetdm(thermal_snes,dm_local,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2001  call dmdavecgetarrayf90(dm_local,solution_vec,x_scal,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2002  x_scal(xstart:xend,ystart:yend,zstart:zend) = t_current
2003  call dmdavecrestorearrayf90(dm_local,solution_vec,x_scal,ierr); if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
2004  do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
2005  cell = cell + 1
2006  call thermal_conduction_puttemperatureanditsrate(t_current(i,j,k), &
2007  (t_current(i,j,k) - &
2008  t_lastinc(i,j,k))/params%timeinc, &
2009  1,cell)
2010  enddo; enddo; enddo
2011  else
2012  t_lastinc = t_current
2013  call updatereference
2014  endif
2015 
2016 end subroutine grid_thermal_spectral_forward
2017 
2018 
2019 !--------------------------------------------------------------------------------------------------
2021 !--------------------------------------------------------------------------------------------------
2022 subroutine formresidual(in,x_scal,f_scal,dummy,ierr)
2023 
2024  integer(kind=selected_int_kind(5)), dimension(25) :: &
2025  in
2026  real(kind=selected_real_kind(10)), dimension( & in(13)+1:in(13)+in(16),in(14)+1:in(14)+in(17),in(15)+1:in(15)+in(18)), intent(in) :: &
2027  x_scal
2028  real(kind=selected_real_kind(10)), dimension( & in(7)+1:in(7)+in(10),in(8)+1:in(8)+in(11),in(9)+1:in(9)+in(12)), intent(out) :: &
2029  f_scal
2030  integer(kind=selected_int_kind(10)) :: dummy
2031  integer(kind=selected_int_kind(5)) :: ierr
2032  integer :: i, j, k, cell
2033  real(preal) :: tdot, dtdot_dt
2034 
2035  t_current = x_scal
2036 !--------------------------------------------------------------------------------------------------
2037 ! evaluate polarization field
2038  scalarfield_real = 0.0_preal
2039  scalarfield_real(1:grid(1),1:grid(2),1:grid3) = t_current
2040  call utilities_fftscalarforward
2041  call utilities_fourierscalargradient
2042  call utilities_fftvectorbackward
2043  cell = 0
2044  do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
2045  cell = cell + 1
2046  vectorfield_real(1:3,i,j,k) = matmul(thermal_conduction_getconductivity(1,cell) - k_ref, &
2047  vectorfield_real(1:3,i,j,k))
2048  enddo; enddo; enddo
2049  call utilities_fftvectorforward
2050  call utilities_fouriervectordivergence
2051  call utilities_fftscalarbackward
2052  cell = 0
2053  do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
2054  cell = cell + 1
2055  call thermal_conduction_getsourceanditstangent(tdot, dtdot_dt, t_current(i,j,k), 1, cell)
2056  scalarfield_real(i,j,k) = params%timeinc*(scalarfield_real(i,j,k) + tdot) &
2057  + thermal_conduction_getmassdensity(1,cell)* &
2058  thermal_conduction_getspecificheat(1,cell)*(t_lastinc(i,j,k) - &
2059  t_current(i,j,k))&
2060  + mu_ref*t_current(i,j,k)
2061  enddo; enddo; enddo
2062 
2063 !--------------------------------------------------------------------------------------------------
2064 ! convolution of temperature field with green operator
2065  call utilities_fftscalarforward
2066  call utilities_fouriergreenconvolution(k_ref, mu_ref, params%timeinc)
2067  call utilities_fftscalarbackward
2068 
2069 !--------------------------------------------------------------------------------------------------
2070 ! constructing residual
2071  f_scal = t_current - scalarfield_real(1:grid(1),1:grid(2),1:grid3)
2072 
2073 end subroutine formresidual
2074 
2075 
2076 !--------------------------------------------------------------------------------------------------
2078 !--------------------------------------------------------------------------------------------------
2079 subroutine updatereference
2080 
2081  integer :: i,j,k,cell,ierr
2082 
2083  cell = 0
2084  k_ref = 0.0_preal
2085  mu_ref = 0.0_preal
2086  do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
2087  cell = cell + 1
2088  k_ref = k_ref + thermal_conduction_getconductivity(1,cell)
2089  mu_ref = mu_ref + thermal_conduction_getmassdensity(1,cell)* thermal_conduction_getspecificheat(1,cell)
2090  enddo; enddo; enddo
2091  k_ref = k_ref*wgt
2092  call mpi_allreduce(mpi_in_place,k_ref,9,mpi_double,mpi_sum,petsc_comm_world,ierr)
2093  mu_ref = mu_ref*wgt
2094  call mpi_allreduce(mpi_in_place,mu_ref,1,mpi_double,mpi_sum,petsc_comm_world,ierr)
2095 
2096 end subroutine updatereference
2097 
2098 
2099 end module grid_thermal_spectral
2100 
material::thermalmapping
type(thomogmapping), dimension(:), allocatable, public thermalmapping
mapping for thermal state/fields
Definition: material.f90:170
grid_thermal_spectral::t_current
real(preal), dimension(:,:,:), allocatable, private t_current
field of current temperature
Definition: grid_thermal_spectral.f90:1825
spectral_utilities::utilities_fftscalarbackward
subroutine, public utilities_fftscalarbackward
backward FFT of data in scalarField_fourier to scalarField_real
Definition: spectral_utilities.f90:1918
spectral_utilities::scalarfield_real
real(c_double), dimension(:,:,:), pointer, public scalarfield_real
scalar field real representation for fftw
Definition: spectral_utilities.f90:1501
grid_thermal_spectral::yend
integer(kind=selected_int_kind(5)), private yend
Definition: grid_thermal_spectral.f90:1824
numerics::err_thermal_tolrel
real(preal), public, protected err_thermal_tolrel
relative tolerance for thermal equilibrium
Definition: numerics.f90:1488
material::temperature
type(group_float), dimension(:), allocatable, public temperature
temperature field
Definition: material.f90:174
spectral_utilities::tsolutionparams
Definition: spectral_utilities.f90:1557
spectral_utilities
Utilities used by the different spectral solver variants.
Definition: spectral_utilities.f90:10
numerics::worldsize
integer, public, protected worldsize
MPI worldsize (/=1 for MPI simulations only)
Definition: numerics.f90:1470
thermal_conduction::thermal_conduction_getmassdensity
real(preal) function, public thermal_conduction_getmassdensity(ip, el)
returns homogenized mass density
Definition: thermal_conduction.f90:194
material
Parses material config file, either solverJobName.materialConfig or material.config.
Definition: material.f90:11
grid_thermal_spectral::ystart
integer(kind=selected_int_kind(5)), private ystart
Definition: grid_thermal_spectral.f90:1824
discretization_grid::grid3
integer, public, protected grid3
(local) grid in 3rd direction
Definition: discretization_grid.f90:1478
grid_thermal_spectral::xstart
integer(kind=selected_int_kind(5)), private xstart
Definition: grid_thermal_spectral.f90:1824
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
grid_thermal_spectral::grid_thermal_spectral_forward
subroutine, public grid_thermal_spectral_forward(cutBack)
forwarding routine
Definition: grid_thermal_spectral.f90:1986
spectral_utilities::utilities_fftvectorbackward
subroutine, public utilities_fftvectorbackward
backward FFT of data in field_fourier to field_real
Definition: spectral_utilities.f90:1943
spectral_utilities::vectorfield_real
real(c_double), dimension(:,:,:,:), pointer, public vectorfield_real
vector field real representation for fftw
Definition: spectral_utilities.f90:1499
thermal_conduction::thermal_conduction_getsourceanditstangent
subroutine, public thermal_conduction_getsourceanditstangent(Tdot, dTdot_dT, T, ip, el)
returns heat generation rate
Definition: thermal_conduction.f90:83
spectral_utilities::utilities_fouriervectordivergence
subroutine, public utilities_fouriervectordivergence()
calculate vector divergence in fourier field
Definition: spectral_utilities.f90:2221
thermal_conduction::thermal_conduction_puttemperatureanditsrate
subroutine, public thermal_conduction_puttemperatureanditsrate(T, Tdot, ip, el)
updates thermal state with solution from heat conduction PDE
Definition: thermal_conduction.f90:221
prec::preal
integer, parameter preal
number with 15 significant digits, up to 1e+-307 (typically 64 bit)
Definition: prec.f90:20
spectral_utilities::utilities_fftscalarforward
subroutine, public utilities_fftscalarforward
forward FFT of data in scalarField_real to scalarField_fourier
Definition: spectral_utilities.f90:1906
grid_thermal_spectral
1 solver for thermal conduction
Definition: grid_thermal_spectral.f90:11
grid_thermal_spectral::updatereference
subroutine updatereference
update reference viscosity and conductivity
Definition: grid_thermal_spectral.f90:2082
spectral_utilities::utilities_fftvectorforward
subroutine, public utilities_fftvectorforward
forward FFT of data in field_real to field_fourier with highest freqs. removed
Definition: spectral_utilities.f90:1931
numerics::err_thermal_tolabs
real(preal), public, protected err_thermal_tolabs
absolute tolerance for thermal equilibrium
Definition: numerics.f90:1488
grid_thermal_spectral::zstart
integer(kind=selected_int_kind(5)), private zstart
Definition: grid_thermal_spectral.f90:1824
spectral_utilities::utilities_fourierscalargradient
subroutine, public utilities_fourierscalargradient()
calculate scalar gradient in fourier field
Definition: spectral_utilities.f90:2207
grid_thermal_spectral::solution_vec
type(tvec), private solution_vec
Definition: grid_thermal_spectral.f90:1823
thermal_conduction::thermal_conduction_getspecificheat
real(preal) function, public thermal_conduction_getspecificheat(ip, el)
returns homogenized specific heat capacity
Definition: thermal_conduction.f90:168
thermal_conduction
material subroutine for temperature evolution from heat conduction
Definition: thermal_conduction.f90:9
grid_thermal_spectral::t_lastinc
real(preal), dimension(:,:,:), allocatable, private t_lastinc
field of previous temperature
Definition: grid_thermal_spectral.f90:1825
numerics::itmax
integer, public, protected itmax
maximum number of iterations
Definition: numerics.f90:1495
grid_thermal_spectral::grid_thermal_spectral_solution
type(tsolutionstate) function, public grid_thermal_spectral_solution(timeinc, timeinc_old)
solution for the spectral thermal scheme with internal iterations
Definition: grid_thermal_spectral.f90:1924
material::material_homogenizationat
integer, dimension(:), allocatable, public, protected material_homogenizationat
homogenization ID of each element (copy of discretization_homogenizationAt)
Definition: material.f90:128
grid_thermal_spectral::t_staginc
real(preal), dimension(:,:,:), allocatable, private t_staginc
field of staggered temperature
Definition: grid_thermal_spectral.f90:1825
numerics::worldrank
integer, public, protected worldrank
MPI worldrank (/=0 for MPI simulations only)
Definition: numerics.f90:1470
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
grid_thermal_spectral::xend
integer(kind=selected_int_kind(5)), private xend
Definition: grid_thermal_spectral.f90:1824
grid_thermal_spectral::formresidual
subroutine, private formresidual(in, x_scal, f_scal, dummy, ierr)
forms the spectral thermal residual vector
Definition: grid_thermal_spectral.f90:2023
grid_thermal_spectral::mu_ref
real(preal), private mu_ref
Definition: grid_thermal_spectral.f90:1834
thermal_conduction::thermal_conduction_getconductivity
real(preal) function, dimension(3, 3), public thermal_conduction_getconductivity(ip, el)
returns homogenized thermal conductivity in reference configuration
Definition: thermal_conduction.f90:142
spectral_utilities::utilities_fouriergreenconvolution
subroutine, public utilities_fouriergreenconvolution(D_ref, mobility_ref, deltaT)
doing convolution DamageGreenOp_hat * field_real
Definition: spectral_utilities.f90:2009
grid_thermal_spectral::params
type(tsolutionparams), private params
Definition: grid_thermal_spectral.f90:1818
grid_thermal_spectral::k_ref
real(preal), dimension(3, 3), private k_ref
Definition: grid_thermal_spectral.f90:1833
grid_thermal_spectral::thermal_snes
type(tsnes), private thermal_snes
Definition: grid_thermal_spectral.f90:1822
grid_thermal_spectral::totaliter
integer, private totaliter
total iteration in current increment
Definition: grid_thermal_spectral.f90:1832
numerics
Managing of parameters related to numerics.
Definition: numerics.f90:10
spectral_utilities::tsolutionstate
return type of solution from spectral solver variants
Definition: spectral_utilities.f90:1528
grid_thermal_spectral::grid_thermal_spectral_init
subroutine, public grid_thermal_spectral_init
allocates all neccessary fields and fills them with data
Definition: grid_thermal_spectral.f90:1850
grid_thermal_spectral::zend
integer(kind=selected_int_kind(5)), private zend
Definition: grid_thermal_spectral.f90:1824