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DAMASK_EICMD
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use print instead of write 

https://www.scivision.dev/print-vs-write-fortran/
This commit is contained in:
Martin Diehl 2020-09-13 13:01:38 +02:00
parent 7d929122af
commit b497ec4371
5 changed files with 107 additions and 107 deletions
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16
src/DAMASK_interface.f90
View File

@ -87,20 +87,20 @@ subroutine DAMASK_interface_init
! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203 ! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203
#ifdef DEBUG #ifdef DEBUG
write(6,*) achar(27)//'[31m' print*, achar(27)//'[31m'
write(6,'(a,/)') ' debug version - debug version - debug version - debug version - debug version' write(6,'(a,/)') ' debug version - debug version - debug version - debug version - debug version'
#else #else
write(6,*) achar(27)//'[94m' print*, achar(27)//'[94m'
#endif #endif
write(6,*) ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/' print*, ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/'
write(6,*) ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/' print*, ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/'
write(6,*) ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/' print*, ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/'
write(6,*) ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/' print*, ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
write(6,*) ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/' print*, ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/'
#ifdef DEBUG #ifdef DEBUG
write(6,'(/,a)') ' debug version - debug version - debug version - debug version - debug version' write(6,'(/,a)') ' debug version - debug version - debug version - debug version - debug version'
#endif #endif
write(6,*) achar(27)//'[0m' print*, achar(27)//'[0m'
write(6,'(a)') ' Roters et al., Computational Materials Science 158:420–478, 2019' write(6,'(a)') ' Roters et al., Computational Materials Science 158:420–478, 2019'
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030' write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'

6
src/config.f90
View File

@ -59,7 +59,7 @@ subroutine parse_material
inquire(file=fname,exist=fileExists) inquire(file=fname,exist=fileExists)
if(.not. fileExists) call IO_error(100,ext_msg=fname) if(.not. fileExists) call IO_error(100,ext_msg=fname)
endif endif
write(6,*) 'reading '//fname; flush(6) print*, 'reading '//fname; flush(6)
config_material => YAML_parse_file(fname) config_material => YAML_parse_file(fname)
end subroutine parse_material end subroutine parse_material
@ -76,7 +76,7 @@ subroutine parse_numerics
config_numerics => emptyDict config_numerics => emptyDict
inquire(file='numerics.yaml', exist=fexist) inquire(file='numerics.yaml', exist=fexist)
if (fexist) then if (fexist) then
write(6,*) 'reading numerics.yaml'; flush(6) print*, 'reading numerics.yaml'; flush(6)
config_numerics => YAML_parse_file('numerics.yaml') config_numerics => YAML_parse_file('numerics.yaml')
endif endif
@ -93,7 +93,7 @@ subroutine parse_debug
config_debug => emptyDict config_debug => emptyDict
inquire(file='debug.yaml', exist=fexist) inquire(file='debug.yaml', exist=fexist)
fileExists: if (fexist) then fileExists: if (fexist) then
write(6,*) 'reading debug.yaml'; flush(6) print*, 'reading debug.yaml'; flush(6)
config_debug => YAML_parse_file('debug.yaml') config_debug => YAML_parse_file('debug.yaml')
endif fileExists endif fileExists

154
src/element.f90
View File

@ -4,9 +4,9 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module element module element
use IO use IO
implicit none implicit none
private private
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> Properties of a single element !> Properties of a single element
@ -39,7 +39,7 @@ module element
integer, parameter :: & integer, parameter :: &
NELEMTYPE = 13 NELEMTYPE = 13
integer, dimension(NELEMTYPE), parameter :: NNODE = & integer, dimension(NELEMTYPE), parameter :: NNODE = &
[ & [ &
3, & ! 2D, 1 IP 3, & ! 2D, 1 IP
@ -57,7 +57,7 @@ module element
20, & ! 3D, 8 IP 20, & ! 3D, 8 IP
20 & ! 3D, 27 IP 20 & ! 3D, 27 IP
] !< number of nodes that constitute a specific type of element ] !< number of nodes that constitute a specific type of element
integer, dimension(NELEMTYPE), parameter :: GEOMTYPE = & integer, dimension(NELEMTYPE), parameter :: GEOMTYPE = &
[ & [ &
1, & ! 1 triangle 1, & ! 1 triangle
@ -75,7 +75,7 @@ module element
9, & ! 8 hexahedrons 9, & ! 8 hexahedrons
10 & ! 27 hexahedrons 10 & ! 27 hexahedrons
] !< geometry type (same number of cell nodes and IPs) ] !< geometry type (same number of cell nodes and IPs)
integer, dimension(maxval(GEOMTYPE)), parameter :: NCELLNODE = & integer, dimension(maxval(GEOMTYPE)), parameter :: NCELLNODE = &
[ & [ &
3, & 3, &
@ -89,21 +89,21 @@ module element
27, & 27, &
64 & 64 &
] !< number of cell nodes ] !< number of cell nodes
integer, dimension(maxval(GEOMTYPE)), parameter :: NIP = & integer, dimension(maxval(GEOMTYPE)), parameter :: NIP = &
[ & [ &
1, & 1, &
3, & 3, &
4, & 4, &
9, & 9, &
1, & 1, &
4, & 4, &
6, & 6, &
1, & 1, &
8, & 8, &
27 & 27 &
] !< number of IPs ] !< number of IPs
integer, dimension(maxval(GEOMTYPE)), parameter :: CELLTYPE = & integer, dimension(maxval(GEOMTYPE)), parameter :: CELLTYPE = &
[ & [ &
1, & ! 2D, 3 node (Triangle) 1, & ! 2D, 3 node (Triangle)
@ -147,7 +147,7 @@ module element
! It is sorted in (local) +x,-x, +y,-y, +z,-z direction. ! It is sorted in (local) +x,-x, +y,-y, +z,-z direction.
! Positive integers denote an intra-element IP identifier. ! Positive integers denote an intra-element IP identifier.
! Negative integers denote the interface behind which the neighboring (extra-element) IP will be located. ! Negative integers denote the interface behind which the neighboring (extra-element) IP will be located.
integer, dimension(NIPNEIGHBOR(CELLTYPE(1)),NIP(1)), parameter :: IPNEIGHBOR1 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(1)),NIP(1)), parameter :: IPNEIGHBOR1 = &
reshape([& reshape([&
-2,-3,-1 & -2,-3,-1 &
@ -156,7 +156,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(1)),NIP(1)]) ],[NIPNEIGHBOR(CELLTYPE(1)),NIP(1)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(2)),NIP(2)), parameter :: IPNEIGHBOR2 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(2)),NIP(2)), parameter :: IPNEIGHBOR2 = &
reshape([& reshape([&
2,-3, 3,-1, & 2,-3, 3,-1, &
@ -167,7 +167,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(2)),NIP(2)]) ],[NIPNEIGHBOR(CELLTYPE(2)),NIP(2)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(3)),NIP(3)), parameter :: IPNEIGHBOR3 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(3)),NIP(3)), parameter :: IPNEIGHBOR3 = &
reshape([& reshape([&
2,-4, 3,-1, & 2,-4, 3,-1, &
@ -179,7 +179,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(3)),NIP(3)]) ],[NIPNEIGHBOR(CELLTYPE(3)),NIP(3)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(4)),NIP(4)), parameter :: IPNEIGHBOR4 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(4)),NIP(4)), parameter :: IPNEIGHBOR4 = &
reshape([& reshape([&
2,-4, 4,-1, & 2,-4, 4,-1, &
@ -196,7 +196,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(4)),NIP(4)]) ],[NIPNEIGHBOR(CELLTYPE(4)),NIP(4)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(5)),NIP(5)), parameter :: IPNEIGHBOR5 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(5)),NIP(5)), parameter :: IPNEIGHBOR5 = &
reshape([& reshape([&
-1,-2,-3,-4 & -1,-2,-3,-4 &
@ -205,7 +205,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(5)),NIP(5)]) ],[NIPNEIGHBOR(CELLTYPE(5)),NIP(5)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(6)),NIP(6)), parameter :: IPNEIGHBOR6 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(6)),NIP(6)), parameter :: IPNEIGHBOR6 = &
reshape([& reshape([&
2,-4, 3,-2, 4,-1, & 2,-4, 3,-2, 4,-1, &
@ -217,7 +217,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(6)),NIP(6)]) ],[NIPNEIGHBOR(CELLTYPE(6)),NIP(6)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(7)),NIP(7)), parameter :: IPNEIGHBOR7 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(7)),NIP(7)), parameter :: IPNEIGHBOR7 = &
reshape([& reshape([&
2,-4, 3,-2, 4,-1, & 2,-4, 3,-2, 4,-1, &
@ -231,7 +231,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(7)),NIP(7)]) ],[NIPNEIGHBOR(CELLTYPE(7)),NIP(7)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(8)),NIP(8)), parameter :: IPNEIGHBOR8 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(8)),NIP(8)), parameter :: IPNEIGHBOR8 = &
reshape([& reshape([&
-3,-5,-4,-2,-6,-1 & -3,-5,-4,-2,-6,-1 &
@ -240,7 +240,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(8)),NIP(8)]) ],[NIPNEIGHBOR(CELLTYPE(8)),NIP(8)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(9)),NIP(9)), parameter :: IPNEIGHBOR9 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(9)),NIP(9)), parameter :: IPNEIGHBOR9 = &
reshape([& reshape([&
2,-5, 3,-2, 5,-1, & 2,-5, 3,-2, 5,-1, &
@ -256,7 +256,7 @@ module element
#else #else
],[NIPNEIGHBOR(CELLTYPE(9)),NIP(9)]) ],[NIPNEIGHBOR(CELLTYPE(9)),NIP(9)])
#endif #endif
integer, dimension(NIPNEIGHBOR(CELLTYPE(10)),NIP(10)), parameter :: IPNEIGHBOR10 = & integer, dimension(NIPNEIGHBOR(CELLTYPE(10)),NIP(10)), parameter :: IPNEIGHBOR10 = &
reshape([& reshape([&
2,-5, 4,-2,10,-1, & 2,-5, 4,-2,10,-1, &
@ -292,7 +292,7 @@ module element
],[NIPNEIGHBOR(CELLTYPE(10)),NIP(10)]) ],[NIPNEIGHBOR(CELLTYPE(10)),NIP(10)])
#endif #endif
integer, dimension(NNODE(1),NCELLNODE(GEOMTYPE(1))), parameter :: CELLNODEPARENTNODEWEIGHTS1 = & integer, dimension(NNODE(1),NCELLNODE(GEOMTYPE(1))), parameter :: CELLNODEPARENTNODEWEIGHTS1 = &
reshape([& reshape([&
1, 0, 0, & 1, 0, 0, &
@ -303,7 +303,7 @@ module element
#else #else
],[NNODE(1),NCELLNODE(GEOMTYPE(1))]) ],[NNODE(1),NCELLNODE(GEOMTYPE(1))])
#endif #endif
integer, dimension(NNODE(2),NCELLNODE(GEOMTYPE(2))), parameter :: CELLNODEPARENTNODEWEIGHTS2 = & integer, dimension(NNODE(2),NCELLNODE(GEOMTYPE(2))), parameter :: CELLNODEPARENTNODEWEIGHTS2 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, & 1, 0, 0, 0, 0, 0, &
@ -318,7 +318,7 @@ module element
#else #else
],[NNODE(2),NCELLNODE(GEOMTYPE(2))]) ],[NNODE(2),NCELLNODE(GEOMTYPE(2))])
#endif #endif
integer, dimension(NNODE(3),NCELLNODE(GEOMTYPE(3))), parameter :: CELLNODEPARENTNODEWEIGHTS3 = & integer, dimension(NNODE(3),NCELLNODE(GEOMTYPE(3))), parameter :: CELLNODEPARENTNODEWEIGHTS3 = &
reshape([& reshape([&
1, 0, 0, 0, & 1, 0, 0, 0, &
@ -335,7 +335,7 @@ module element
#else #else
],[NNODE(3),NCELLNODE(GEOMTYPE(3))]) ],[NNODE(3),NCELLNODE(GEOMTYPE(3))])
#endif #endif
integer, dimension(NNODE(4),NCELLNODE(GEOMTYPE(4))), parameter :: CELLNODEPARENTNODEWEIGHTS4 = & integer, dimension(NNODE(4),NCELLNODE(GEOMTYPE(4))), parameter :: CELLNODEPARENTNODEWEIGHTS4 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, 0, 0, & 1, 0, 0, 0, 0, 0, 0, 0, &
@ -359,7 +359,7 @@ module element
#else #else
],[NNODE(4),NCELLNODE(GEOMTYPE(4))]) ],[NNODE(4),NCELLNODE(GEOMTYPE(4))])
#endif #endif
integer, dimension(NNODE(5),NCELLNODE(GEOMTYPE(5))), parameter :: CELLNODEPARENTNODEWEIGHTS5 = & integer, dimension(NNODE(5),NCELLNODE(GEOMTYPE(5))), parameter :: CELLNODEPARENTNODEWEIGHTS5 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, 0, 0, & 1, 0, 0, 0, 0, 0, 0, 0, &
@ -376,7 +376,7 @@ module element
#else #else
],[NNODE(5),NCELLNODE(GEOMTYPE(5))]) ],[NNODE(5),NCELLNODE(GEOMTYPE(5))])
#endif #endif
integer, dimension(NNODE(6),NcellNode(GEOMTYPE(6))), parameter :: CELLNODEPARENTNODEWEIGHTS6 = & integer, dimension(NNODE(6),NcellNode(GEOMTYPE(6))), parameter :: CELLNODEPARENTNODEWEIGHTS6 = &
reshape([& reshape([&
1, 0, 0, 0, & 1, 0, 0, 0, &
@ -388,7 +388,7 @@ module element
#else #else
],[NNODE(6),NcellNode(GEOMTYPE(6))]) ],[NNODE(6),NcellNode(GEOMTYPE(6))])
#endif #endif
integer, dimension(NNODE(7),NCELLNODE(GEOMTYPE(7))), parameter :: CELLNODEPARENTNODEWEIGHTS7 = & integer, dimension(NNODE(7),NCELLNODE(GEOMTYPE(7))), parameter :: CELLNODEPARENTNODEWEIGHTS7 = &
reshape([& reshape([&
1, 0, 0, 0, 0, & 1, 0, 0, 0, 0, &
@ -411,7 +411,7 @@ module element
#else #else
],[NNODE(7),NCELLNODE(GEOMTYPE(7))]) ],[NNODE(7),NCELLNODE(GEOMTYPE(7))])
#endif #endif
integer, dimension(NNODE(8),NCELLNODE(GEOMTYPE(8))), parameter :: CELLNODEPARENTNODEWEIGHTS8 = & integer, dimension(NNODE(8),NCELLNODE(GEOMTYPE(8))), parameter :: CELLNODEPARENTNODEWEIGHTS8 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, & 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
@ -434,7 +434,7 @@ module element
#else #else
],[NNODE(8),NCELLNODE(GEOMTYPE(8))]) ],[NNODE(8),NCELLNODE(GEOMTYPE(8))])
#endif #endif
integer, dimension(NNODE(9),NCELLNODE(GEOMTYPE(9))), parameter :: CELLNODEPARENTNODEWEIGHTS9 = & integer, dimension(NNODE(9),NCELLNODE(GEOMTYPE(9))), parameter :: CELLNODEPARENTNODEWEIGHTS9 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, & 1, 0, 0, 0, 0, 0, &
@ -463,7 +463,7 @@ module element
#else #else
],[NNODE(9),NCELLNODE(GEOMTYPE(9))]) ],[NNODE(9),NCELLNODE(GEOMTYPE(9))])
#endif #endif
integer, dimension(NNODE(10),NCELLNODE(GEOMTYPE(10))), parameter :: CELLNODEPARENTNODEWEIGHTS10 = & integer, dimension(NNODE(10),NCELLNODE(GEOMTYPE(10))), parameter :: CELLNODEPARENTNODEWEIGHTS10 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, 0, 0, & 1, 0, 0, 0, 0, 0, 0, 0, &
@ -479,7 +479,7 @@ module element
#else #else
],[NNODE(10),NCELLNODE(GEOMTYPE(10))]) ],[NNODE(10),NCELLNODE(GEOMTYPE(10))])
#endif #endif
integer, dimension(NNODE(11),NCELLNODE(GEOMTYPE(11))), parameter :: CELLNODEPARENTNODEWEIGHTS11 = & integer, dimension(NNODE(11),NCELLNODE(GEOMTYPE(11))), parameter :: CELLNODEPARENTNODEWEIGHTS11 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, 0, 0, & ! 1, 0, 0, 0, 0, 0, 0, 0, & !
@ -514,7 +514,7 @@ module element
#else #else
],[NNODE(11),NCELLNODE(GEOMTYPE(11))]) ],[NNODE(11),NCELLNODE(GEOMTYPE(11))])
#endif #endif
integer, dimension(NNODE(12),NCELLNODE(GEOMTYPE(12))), parameter :: CELLNODEPARENTNODEWEIGHTS12 = & integer, dimension(NNODE(12),NCELLNODE(GEOMTYPE(12))), parameter :: CELLNODEPARENTNODEWEIGHTS12 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
@ -549,7 +549,7 @@ module element
#else #else
],[NNODE(12),NCELLNODE(GEOMTYPE(12))]) ],[NNODE(12),NCELLNODE(GEOMTYPE(12))])
#endif #endif
integer, dimension(NNODE(13),NCELLNODE(GEOMTYPE(13))), parameter :: CELLNODEPARENTNODEWEIGHTS13 = & integer, dimension(NNODE(13),NCELLNODE(GEOMTYPE(13))), parameter :: CELLNODEPARENTNODEWEIGHTS13 = &
reshape([& reshape([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
@ -621,8 +621,8 @@ module element
#else #else
],[NNODE(13),NCELLNODE(GEOMTYPE(13))]) ],[NNODE(13),NCELLNODE(GEOMTYPE(13))])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)), parameter :: CELL1 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)), parameter :: CELL1 = &
reshape([& reshape([&
1,2,3 & 1,2,3 &
@ -631,7 +631,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)]) ],[NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)), parameter :: CELL2 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)), parameter :: CELL2 = &
reshape([& reshape([&
1, 4, 7, 6, & 1, 4, 7, 6, &
@ -642,7 +642,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)]) ],[NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)), parameter :: CELL3 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)), parameter :: CELL3 = &
reshape([& reshape([&
1, 5, 9, 8, & 1, 5, 9, 8, &
@ -654,7 +654,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)]) ],[NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)), parameter :: CELL4 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)), parameter :: CELL4 = &
reshape([& reshape([&
1, 5,13,12, & 1, 5,13,12, &
@ -671,7 +671,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)]) ],[NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)), parameter :: CELL5 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)), parameter :: CELL5 = &
reshape([& reshape([&
1, 2, 3, 4 & 1, 2, 3, 4 &
@ -680,7 +680,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)]) ],[NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)), parameter :: CELL6 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)), parameter :: CELL6 = &
reshape([& reshape([&
1, 5,11, 7, 8,12,15,14, & 1, 5,11, 7, 8,12,15,14, &
@ -692,7 +692,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)]) ],[NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)), parameter :: CELL7 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)), parameter :: CELL7 = &
reshape([& reshape([&
1, 7,16, 9,10,17,21,19, & 1, 7,16, 9,10,17,21,19, &
@ -706,7 +706,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)]) ],[NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)), parameter :: CELL8 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)), parameter :: CELL8 = &
reshape([& reshape([&
1, 2, 3, 4, 5, 6, 7, 8 & 1, 2, 3, 4, 5, 6, 7, 8 &
@ -715,7 +715,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)]) ],[NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)), parameter :: CELL9 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)), parameter :: CELL9 = &
reshape([& reshape([&
1, 9,21,12,17,22,27,25, & 1, 9,21,12,17,22,27,25, &
@ -731,7 +731,7 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)]) ],[NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)])
#endif #endif
integer, dimension(NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)), parameter :: CELL10 = & integer, dimension(NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)), parameter :: CELL10 = &
reshape([& reshape([&
1, 9,33,16,17,37,57,44, & 1, 9,33,16,17,37,57,44, &
@ -766,8 +766,8 @@ module element
#else #else
],[NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)]) ],[NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)])
#endif #endif
integer, dimension(NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)), parameter :: CELLFACE1 = & integer, dimension(NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)), parameter :: CELLFACE1 = &
reshape([& reshape([&
2,3, & 2,3, &
@ -778,7 +778,7 @@ module element
#else #else
],[NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)]) ],[NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)])
#endif #endif
integer, dimension(NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)), parameter :: CELLFACE2 = & integer, dimension(NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)), parameter :: CELLFACE2 = &
reshape([& reshape([&
2,3, & 2,3, &
@ -790,7 +790,7 @@ module element
#else #else
],[NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)]) ],[NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)])
#endif #endif
integer, dimension(NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)), parameter :: CELLFACE3 = & integer, dimension(NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)), parameter :: CELLFACE3 = &
reshape([& reshape([&
1,3,2, & 1,3,2, &
@ -802,7 +802,7 @@ module element
#else #else
],[NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)]) ],[NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)])
#endif #endif
integer, dimension(NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)), parameter :: CELLFACE4 = & integer, dimension(NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)), parameter :: CELLFACE4 = &
reshape([& reshape([&
2,3,7,6, & 2,3,7,6, &
@ -816,10 +816,10 @@ module element
#else #else
],[NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)]) ],[NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)])
#endif #endif
contains contains
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> define properties of an element !> define properties of an element
@ -828,9 +828,9 @@ subroutine tElement_init(self,elemType)
class(tElement) :: self class(tElement) :: self
integer, intent(in) :: elemType integer, intent(in) :: elemType
self%elemType = elemType self%elemType = elemType
self%Nnodes = NNODE (self%elemType) self%Nnodes = NNODE (self%elemType)
self%geomType = GEOMTYPE(self%elemType) self%geomType = GEOMTYPE(self%elemType)
@ -864,12 +864,12 @@ subroutine tElement_init(self,elemType)
case default case default
call IO_error(0,ext_msg='invalid element type') call IO_error(0,ext_msg='invalid element type')
end select end select
self%NcellNodes = NCELLNODE(self%geomType) self%NcellNodes = NCELLNODE(self%geomType)
self%nIPs = NIP (self%geomType) self%nIPs = NIP (self%geomType)
self%cellType = CELLTYPE (self%geomType) self%cellType = CELLTYPE (self%geomType)
select case (self%geomType) select case (self%geomType)
case(1) case(1)
self%IPneighbor = IPNEIGHBOR1 self%IPneighbor = IPNEIGHBOR1
@ -904,7 +904,7 @@ subroutine tElement_init(self,elemType)
end select end select
self%NcellnodesPerCell = NCELLNODEPERCELL(self%cellType) self%NcellnodesPerCell = NCELLNODEPERCELL(self%cellType)
select case(self%cellType) select case(self%cellType)
case(1) case(1)
self%cellFace = CELLFACE1 self%cellFace = CELLFACE1
@ -919,20 +919,20 @@ subroutine tElement_init(self,elemType)
self%cellFace = CELLFACE4 self%cellFace = CELLFACE4
self%vtkType = 'HEXAHEDRON' self%vtkType = 'HEXAHEDRON'
end select end select
self%nIPneighbors = size(self%IPneighbor,1) self%nIPneighbors = size(self%IPneighbor,1)
write(6,'(/,a)') ' <<<+- element_init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- element_init -+>>>'; flush(6)
write(6,*) ' element type: ',self%elemType print*, 'element type: ',self%elemType
write(6,*) ' geom type: ',self%geomType print*, ' geom type: ',self%geomType
write(6,*) ' cell type: ',self%cellType print*, ' cell type: ',self%cellType
write(6,*) ' # node: ',self%Nnodes print*, ' # node: ',self%Nnodes
write(6,*) ' # IP: ',self%nIPs print*, ' # IP: ',self%nIPs
write(6,*) ' # cellnode: ',self%Ncellnodes print*, ' # cellnode: ',self%Ncellnodes
write(6,*) ' # cellnode/cell: ',self%NcellnodesPerCell print*, ' # cellnode/cell: ',self%NcellnodesPerCell
write(6,*) ' # IP neighbor: ',self%nIPneighbors print*, ' # IP neighbor: ',self%nIPneighbors
end subroutine tElement_init end subroutine tElement_init
end module element end module element

28
src/homogenization_mech_RGC.f90
View File

@ -244,7 +244,7 @@ module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
do i = 1,3 do i = 1,3
write(6,'(1x,3(e15.8,1x))')(F(i,j,iGrain), j = 1,3) write(6,'(1x,3(e15.8,1x))')(F(i,j,iGrain), j = 1,3)
enddo enddo
write(6,*)' ' print*,' '
flush(6) flush(6)
endif endif
#endif #endif
@ -307,7 +307,7 @@ module procedure mech_RGC_updateState
do i = 1,size(stt%relaxationVector(:,of)) do i = 1,size(stt%relaxationVector(:,of))
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of) write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
enddo enddo
write(6,*)' ' print*,' '
endif endif
#endif #endif
@ -330,7 +330,7 @@ module procedure mech_RGC_updateState
(R(i,j,iGrain), j = 1,3), & (R(i,j,iGrain), j = 1,3), &
(D(i,j,iGrain), j = 1,3) (D(i,j,iGrain), j = 1,3)
enddo enddo
write(6,*)' ' print*,' '
enddo enddo
endif endif
#endif #endif
@ -371,7 +371,7 @@ module procedure mech_RGC_updateState
if (debugHomog%extensive) then if (debugHomog%extensive) then
write(6,'(1x,a30,1x,i3)')'Traction at interface: ',iNum write(6,'(1x,a30,1x,i3)')'Traction at interface: ',iNum
write(6,'(1x,3(e15.8,1x))')(tract(iNum,j), j = 1,3) write(6,'(1x,3(e15.8,1x))')(tract(iNum,j), j = 1,3)
write(6,*)' ' print*,' '
endif endif
#endif #endif
enddo enddo
@ -513,7 +513,7 @@ module procedure mech_RGC_updateState
do i = 1,3*nIntFaceTot do i = 1,3*nIntFaceTot
write(6,'(1x,100(e11.4,1x))')(smatrix(i,j), j = 1,3*nIntFaceTot) write(6,'(1x,100(e11.4,1x))')(smatrix(i,j), j = 1,3*nIntFaceTot)
enddo enddo
write(6,*)' ' print*,' '
flush(6) flush(6)
endif endif
#endif #endif
@ -573,7 +573,7 @@ module procedure mech_RGC_updateState
do i = 1,3*nIntFaceTot do i = 1,3*nIntFaceTot
write(6,'(1x,100(e11.4,1x))')(pmatrix(i,j), j = 1,3*nIntFaceTot) write(6,'(1x,100(e11.4,1x))')(pmatrix(i,j), j = 1,3*nIntFaceTot)
enddo enddo
write(6,*)' ' print*,' '
flush(6) flush(6)
endif endif
#endif #endif
@ -592,7 +592,7 @@ module procedure mech_RGC_updateState
do i = 1,3*nIntFaceTot do i = 1,3*nIntFaceTot
write(6,'(1x,100(e11.4,1x))')(rmatrix(i,j), j = 1,3*nIntFaceTot) write(6,'(1x,100(e11.4,1x))')(rmatrix(i,j), j = 1,3*nIntFaceTot)
enddo enddo
write(6,*)' ' print*,' '
flush(6) flush(6)
endif endif
#endif #endif
@ -607,7 +607,7 @@ module procedure mech_RGC_updateState
do i = 1,3*nIntFaceTot do i = 1,3*nIntFaceTot
write(6,'(1x,100(e11.4,1x))')(jmatrix(i,j), j = 1,3*nIntFaceTot) write(6,'(1x,100(e11.4,1x))')(jmatrix(i,j), j = 1,3*nIntFaceTot)
enddo enddo
write(6,*)' ' print*,' '
flush(6) flush(6)
endif endif
#endif #endif
@ -623,7 +623,7 @@ module procedure mech_RGC_updateState
do i = 1,3*nIntFaceTot do i = 1,3*nIntFaceTot
write(6,'(1x,100(e11.4,1x))')(jnverse(i,j), j = 1,3*nIntFaceTot) write(6,'(1x,100(e11.4,1x))')(jnverse(i,j), j = 1,3*nIntFaceTot)
enddo enddo
write(6,*)' ' print*,' '
flush(6) flush(6)
endif endif
#endif #endif
@ -650,7 +650,7 @@ module procedure mech_RGC_updateState
do i = 1,size(stt%relaxationVector(:,of)) do i = 1,size(stt%relaxationVector(:,of))
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of) write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
enddo enddo
write(6,*)' ' print*,' '
flush(6) flush(6)
endif endif
#endif #endif
@ -699,7 +699,7 @@ module procedure mech_RGC_updateState
if (debugActive) then if (debugActive) then
write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el
write(6,*) surfCorr print*, surfCorr
endif endif
#endif #endif
@ -740,7 +740,7 @@ module procedure mech_RGC_updateState
#ifdef DEBUG #ifdef DEBUG
if (debugActive) then if (debugActive) then
write(6,'(1x,a20,i2,1x,a20,1x,i3)')'Mismatch to face: ',intFace(1),'neighbor grain: ',iGNghb write(6,'(1x,a20,i2,1x,a20,1x,i3)')'Mismatch to face: ',intFace(1),'neighbor grain: ',iGNghb
write(6,*) transpose(nDef) print*, transpose(nDef)
write(6,'(1x,a20,e11.4)')'with magnitude: ',nDefNorm write(6,'(1x,a20,e11.4)')'with magnitude: ',nDefNorm
endif endif
#endif #endif
@ -758,7 +758,7 @@ module procedure mech_RGC_updateState
#ifdef DEBUG #ifdef DEBUG
if (debugActive) then if (debugActive) then
write(6,'(1x,a20,i2)')'Penalty of grain: ',iGrain write(6,'(1x,a20,i2)')'Penalty of grain: ',iGrain
write(6,*) transpose(rPen(1:3,1:3,iGrain)) print*, transpose(rPen(1:3,1:3,iGrain))
endif endif
#endif #endif
@ -808,7 +808,7 @@ module procedure mech_RGC_updateState
if (debugHomog%extensive & if (debugHomog%extensive &
.and. param(instance)%of_debug == of) then .and. param(instance)%of_debug == of) then
write(6,'(1x,a30,i2)')'Volume penalty of grain: ',i write(6,'(1x,a30,i2)')'Volume penalty of grain: ',i
write(6,*) transpose(vPen(:,:,i)) print*, transpose(vPen(:,:,i))
endif endif
#endif #endif
enddo enddo

10
src/parallelization.f90
View File

@ -47,15 +47,15 @@ subroutine parallelization_init
if (err /= 0) error stop 'MPI init failed' if (err /= 0) error stop 'MPI init failed'
if (threadLevel<MPI_THREAD_FUNNELED) error stop 'MPI library does not support OpenMP' if (threadLevel<MPI_THREAD_FUNNELED) error stop 'MPI library does not support OpenMP'
#endif #endif
call PETScInitializeNoArguments(petsc_err) ! first line in the code according to PETSc manual call PETScInitializeNoArguments(petsc_err) ! first line in the code according to PETSc manual
CHKERRQ(petsc_err) CHKERRQ(petsc_err)
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,err) call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,err)
if (err /= 0) error stop 'Could not determine worldrank' if (err /= 0) error stop 'Could not determine worldrank'
if (worldrank == 0) write(6,'(/,a)') ' <<<+- parallelization init -+>>>'; flush(6) if (worldrank == 0) write(6,'(/,a)') ' <<<+- parallelization init -+>>>'; flush(6)
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,err) call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,err)
if (err /= 0) error stop 'Could not determine worldsize' if (err /= 0) error stop 'Could not determine worldsize'
@ -79,12 +79,12 @@ subroutine parallelization_init
!$ call get_environment_variable(name='DAMASK_NUM_THREADS',value=NumThreadsString,STATUS=got_env) !$ call get_environment_variable(name='DAMASK_NUM_THREADS',value=NumThreadsString,STATUS=got_env)
!$ if(got_env /= 0) then !$ if(got_env /= 0) then
!$ write(6,*) 'Could not determine value of $DAMASK_NUM_THREADS' !$ print*, 'Could not determine value of $DAMASK_NUM_THREADS'
!$ DAMASK_NUM_THREADS = 1_pI32 !$ DAMASK_NUM_THREADS = 1_pI32
!$ else !$ else
!$ read(NumThreadsString,'(i6)') DAMASK_NUM_THREADS !$ read(NumThreadsString,'(i6)') DAMASK_NUM_THREADS
!$ if (DAMASK_NUM_THREADS < 1_pI32) then !$ if (DAMASK_NUM_THREADS < 1_pI32) then
!$ write(6,*) 'Invalid DAMASK_NUM_THREADS: '//trim(NumThreadsString) !$ print*, 'Invalid DAMASK_NUM_THREADS: '//trim(NumThreadsString)
!$ DAMASK_NUM_THREADS = 1_pI32 !$ DAMASK_NUM_THREADS = 1_pI32
!$ endif !$ endif
!$ endif !$ endif