Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development
This commit is contained in:
Franz Roters
commit
597ee589a5
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@ -54,7 +54,7 @@ execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_conf
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OUTPUT_VARIABLE petsc_includes
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OUTPUT_STRIP_TRAILING_WHITESPACE)
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# Find the PETSc external linking directory settings
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# //required for final linking, must be appended after the executable
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# required for final linking, must be appended after the executable
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execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "extlibs"
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RESULT_VARIABLE PETSC_EXTERNAL_LIB_RETURN
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OUTPUT_VARIABLE petsc_external_lib
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@ -110,6 +110,10 @@ elseif ("${DAMASK_SOLVER}" STREQUAL "FEM")
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message ("Building FEM Solver\n")
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endif ()
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if ("${CMAKE_BUILD_TYPE}" STREQUAL "")
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set (CMAKE_BUILD_TYPE "RELEASE")
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endif ()
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# set compiler and linker commands (need to be done after defining the project)
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# https://cmake.org/Wiki/CMake_FAQ#How_do_I_use_a_different_compiler.3F
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set (CMAKE_Fortran_COMPILER "${PETSC_MPIFC}")
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@ -177,7 +181,6 @@ add_definitions (-DFLOAT=8)
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add_definitions (-DINT=4)
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set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}")
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set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} -I${PROJECT_SOURCE_DIR}/lib")
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###################################################################################################
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# Intel Compiler
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@ -447,9 +450,7 @@ endif ()
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set (CMAKE_Fortran_FLAGS "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}")
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set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${CMAKE_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
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if ("${CMAKE_BUILD_TYPE}" STREQUAL "")
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set (CMAKE_BUILD_TYPE "RELEASE")
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elseif ("${CMAKE_BUILD_TYPE}" STREQUAL "DEBUG")
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if ("${CMAKE_BUILD_TYPE}" STREQUAL "DEBUG")
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set (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} ${DEBUG_FLAGS}")
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set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}")
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endif ()
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@ -1266,8 +1266,6 @@ subroutine lattice_init
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debug_level, &
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debug_lattice, &
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debug_levelBasic
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use numerics, only: &
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worldrank
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implicit none
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integer(pInt), parameter :: FILEUNIT = 200_pInt
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@ -729,6 +729,8 @@ end subroutine material_parseHomogenization
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!> @brief parses the microstructure part in the material configuration file
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseMicrostructure(fileUnit,myPart)
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use prec, only: &
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dNeq
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use IO
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use mesh, only: &
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mesh_element, &
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@ -738,7 +740,6 @@ subroutine material_parseMicrostructure(fileUnit,myPart)
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character(len=*), intent(in) :: myPart
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integer(pInt), intent(in) :: fileUnit
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integer(pInt), allocatable, dimension(:) :: chunkPos
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integer(pInt) :: Nsections, section, constituent, e, i
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character(len=65536) :: &
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@ -818,9 +819,10 @@ subroutine material_parseMicrostructure(fileUnit,myPart)
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!sanity check
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do section = 1_pInt, Nsections
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if (sum(microstructure_fraction(:,section)) /= 1.0_pReal) &
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if (dNeq(sum(microstructure_fraction(:,section)),1.0_pReal)) &
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call IO_error(153_pInt,ext_msg=microstructure_name(section))
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enddo
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end subroutine material_parseMicrostructure
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33
src/mesh.f90
33
src/mesh.f90
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@ -921,24 +921,22 @@ subroutine mesh_build_ipCoordinates
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integer(pInt) :: e,t,g,c,i,n
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real(pReal), dimension(3) :: myCoords
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if (.not. allocated(mesh_ipCoordinates)) then
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allocate(mesh_ipCoordinates(3,mesh_maxNips,mesh_NcpElems))
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mesh_ipCoordinates = 0.0_pReal
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endif
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if (.not. allocated(mesh_ipCoordinates)) &
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allocate(mesh_ipCoordinates(3,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
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!$OMP PARALLEL DO PRIVATE(t,g,c,myCoords)
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do e = 1_pInt,mesh_NcpElems ! loop over cpElems
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t = mesh_element(2_pInt,e) ! get element type
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g = FE_geomtype(t) ! get geometry type
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c = FE_celltype(g) ! get cell type
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do i = 1_pInt,FE_Nips(g) ! loop over ips=cells in this element
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myCoords = 0.0_pReal
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do n = 1_pInt,FE_NcellnodesPerCell(c) ! loop over cell nodes in this cell
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myCoords = myCoords + mesh_cellnode(1:3,mesh_cell(n,i,e))
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enddo
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mesh_ipCoordinates(1:3,i,e) = myCoords / FE_NcellnodesPerCell(c)
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do e = 1_pInt,mesh_NcpElems ! loop over cpElems
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t = mesh_element(2_pInt,e) ! get element type
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g = FE_geomtype(t) ! get geometry type
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c = FE_celltype(g) ! get cell type
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do i = 1_pInt,FE_Nips(g) ! loop over ips=cells in this element
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myCoords = 0.0_pReal
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do n = 1_pInt,FE_NcellnodesPerCell(c) ! loop over cell nodes in this cell
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myCoords = myCoords + mesh_cellnode(1:3,mesh_cell(n,i,e))
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enddo
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mesh_ipCoordinates(1:3,i,e) = myCoords / real(FE_NcellnodesPerCell(c),pReal)
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enddo
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enddo
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!$OMP END PARALLEL DO
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end subroutine mesh_build_ipCoordinates
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@ -955,7 +953,6 @@ pure function mesh_cellCenterCoordinates(ip,el)
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real(pReal), dimension(3) :: mesh_cellCenterCoordinates !< x,y,z coordinates of the cell center of the requested IP cell
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integer(pInt) :: t,g,c,n
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t = mesh_element(2_pInt,el) ! get element type
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g = FE_geomtype(t) ! get geometry type
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c = FE_celltype(g) ! get cell type
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@ -963,7 +960,7 @@ pure function mesh_cellCenterCoordinates(ip,el)
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do n = 1_pInt,FE_NcellnodesPerCell(c) ! loop over cell nodes in this cell
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mesh_cellCenterCoordinates = mesh_cellCenterCoordinates + mesh_cellnode(1:3,mesh_cell(n,ip,el))
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enddo
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mesh_cellCenterCoordinates = mesh_cellCenterCoordinates / FE_NcellnodesPerCell(c)
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mesh_cellCenterCoordinates = mesh_cellCenterCoordinates / real(FE_NcellnodesPerCell(c),pReal)
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end function mesh_cellCenterCoordinates
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@ -1511,8 +1508,8 @@ function mesh_nodesAroundCentres(gDim,Favg,centres) result(nodes)
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shift = sign(abs(iRes+diag-2_pInt*me)/(iRes+diag),iRes+diag-2_pInt*me)
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lookup = me-diag+shift*iRes
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wrappedCentres(1:3,i+1_pInt, j+1_pInt, k+1_pInt) = &
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centres(1:3,lookup(1)+1_pInt,lookup(2)+1_pInt,lookup(3)+1_pInt) - &
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math_mul33x3(Favg, shift*gDim)
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centres(1:3,lookup(1)+1_pInt,lookup(2)+1_pInt,lookup(3)+1_pInt) &
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- math_mul33x3(Favg, real(shift,pReal)*gDim)
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endif
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enddo; enddo; enddo
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@ -251,10 +251,8 @@ subroutine numerics_init
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!--------------------------------------------------------------------------------------------------
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! try to open the config file
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fileExists: if(IO_open_file_stat(FILEUNIT,numerics_configFile)) then
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mainProcess2: if (worldrank == 0) then
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write(6,'(a,/)') ' using values from config file'
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flush(6)
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endif mainProcess2
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write(6,'(a,/)') ' using values from config file'
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flush(6)
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!--------------------------------------------------------------------------------------------------
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! read variables from config file and overwrite default parameters if keyword is present
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@ -57,7 +57,9 @@ subroutine DAMASK_interface_init()
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tag
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integer :: &
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i, &
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#ifdef _OPENMP
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threadLevel, &
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#endif
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worldrank = 0, &
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worldsize = 0
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integer, allocatable, dimension(:) :: &
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