more patches to get the tests running again:

- fixed increment counting in postResults to current output scheme - corrected node coordinates calculation - some work on restart (restart test still not running)
2015-03-26 21:19:28 +00:00 · 2015-03-26 21:19:28 +00:00 · 1ee81e74ea
parent 69b8e02a3a
commit 1ee81e74ea
6 changed files with 68 additions and 73 deletions
--- a/code/DAMASK_spectral_driver.f90
+++ b/code/DAMASK_spectral_driver.f90
@ -340,6 +340,8 @@ program DAMASK_spectral_Driver
 
 !--------------------------------------------------------------------------------------------------
 ! write header of output file
+ allocate(outputSize(worldsize), source = 0_pInt); outputSize(worldrank+1) = size(materialpoint_results)*8
+ call MPI_Allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
 if (.not. appendToOutFile) then                                                                      ! after restart, append to existing results file
   if (worldrank == 0) then
     open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
@ -359,9 +361,6 @@ program DAMASK_spectral_Driver
     write(resUnit) 'eoh'    
     close(resUnit)                                                                                   ! end of header
   endif
- endif  
- allocate(outputSize(worldsize), source = 0_pInt); outputSize(worldrank+1) = size(materialpoint_results)*8
- call MPI_Allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
   call MPI_File_open(PETSC_COMM_WORLD, &
                      trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut', &
                      MPI_MODE_WRONLY + MPI_MODE_APPEND, &
@ -373,6 +372,17 @@ program DAMASK_spectral_Driver
   call MPI_File_seek (resUnit,my_offset,MPI_SEEK_SET,ierr)
   call MPI_File_write(resUnit, materialpoint_results, size(materialpoint_results), &
                       MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
+ else
+   call MPI_File_open(PETSC_COMM_WORLD, &
+                      trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut', &
+                      MPI_MODE_WRONLY + MPI_MODE_APPEND, &
+                      MPI_INFO_NULL, &
+                      resUnit, &
+                      ierr)
+   call MPI_File_get_position(resUnit,my_offset,ierr)
+   my_offset = my_offset + sum(outputSize(1:worldrank))
+   call MPI_File_seek (resUnit,my_offset,MPI_SEEK_SET,ierr)
+ endif  
 if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0 .and. worldrank == 0_pInt) &
   write(6,'(/,a)') ' header of result file written out'
 flush(6)
--- a/code/DAMASK_spectral_solverAL.f90
+++ b/code/DAMASK_spectral_solverAL.f90
@ -218,7 +218,6 @@ subroutine AL_init(temperature)
                                        trim(getSolverJobName()),size(F_lambda_lastInc))
   read (777,rec=1) F_lambda_lastInc
   close (777)
-   if (worldrank == 0_pInt) then
   call IO_read_realFile(777,'F_aim', trim(getSolverJobName()),size(F_aim))
   read (777,rec=1) F_aim
   close (777)
@ -229,7 +228,6 @@ subroutine AL_init(temperature)
   read (777,rec=1) f_aimDot
   close (777)
 endif
- endif
 
 call utilities_updateIPcoords(F)
 call Utilities_constitutiveResponse(F_lastInc,F,&
@ -238,8 +236,8 @@ subroutine AL_init(temperature)
 nullify(F_lambda)
 call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)                            ! write data back to PETSc
                             
- if (restartInc > 1_pInt .and. worldrank == 0_pInt) then                                            ! using old values from files
-   if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
+ if (restartInc > 1_pInt) then                                                                      ! using old values from files
+   if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
     write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
     'reading more values of increment', restartInc - 1_pInt, 'from file'
   flush(6)
--- a/code/DAMASK_spectral_solverBasicPETSc.f90
+++ b/code/DAMASK_spectral_solverBasicPETSc.f90
@ -193,11 +193,9 @@ subroutine basicPETSc_init(temperature)
   call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
   read (777,rec=1) F_lastInc
   close (777)
-   if (worldrank == 0_pInt) then
   call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
   read (777,rec=1) f_aimDot
   close (777)
-   endif
   F_aim         = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3])                         ! average of F
   F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt                                 ! average of F_lastInc 
 endif
@ -213,8 +211,8 @@ subroutine basicPETSc_init(temperature)
    math_I3)
 call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)                                 ! write data back to PETSc

- if (restartInc > 1_pInt .and. worldrank == 0_pInt) then                                                                      ! using old values from files                                                    
-   if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
+ if (restartInc > 1_pInt) then                                                                      ! using old values from files                                                    
+   if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
     write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
     'reading more values of increment', restartInc - 1_pInt, 'from file'
   flush(6)
--- a/code/DAMASK_spectral_solverPolarisation.f90
+++ b/code/DAMASK_spectral_solverPolarisation.f90
@ -217,7 +217,6 @@ subroutine Polarisation_init(temperature)
                                        trim(getSolverJobName()),size(F_tau_lastInc))
   read (777,rec=1) F_tau_lastInc
   close (777)
-   if (worldrank == 0_pInt) then
   call IO_read_realFile(777,'F_aim', trim(getSolverJobName()),size(F_aim))
   read (777,rec=1) F_aim
   close (777)
@ -228,7 +227,6 @@ subroutine Polarisation_init(temperature)
   read (777,rec=1) f_aimDot
   close (777)
 endif
- endif

 call Utilities_updateIPcoords(F)
 call Utilities_constitutiveResponse(F_lastInc,F,&
@ -237,8 +235,8 @@ subroutine Polarisation_init(temperature)
 nullify(F_tau)
 call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr)                            ! write data back to PETSc

- if (restartInc > 1_pInt .and. worldrank == 0_pInt) then                                            ! using old values from files
-   if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
+ if (restartInc > 1_pInt) then                                            ! using old values from files
+   if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
     write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
     'reading more values of increment', restartInc - 1_pInt, 'from file'
   flush(6)
--- a/code/mesh.f90
+++ b/code/mesh.f90
@ -1315,18 +1315,23 @@ subroutine mesh_spectral_build_nodes(fileUnit)

 implicit none
 integer(pInt),              intent(in) :: fileUnit
- integer(pInt)                          :: n, i, j, k
+ integer(pInt)                          :: n

 allocate (mesh_node0 (3,mesh_Nnodes), source = 0.0_pReal)
 allocate (mesh_node  (3,mesh_Nnodes), source = 0.0_pReal)
 
- n = 0_pInt
- do k = 1, gridLocal(3); do j = 1, gridLocal(2); do i = 1, gridLocal(1)
-   n = n + 1_pInt
-   mesh_node0(1,n) = real(i)*geomSizeLocal(1)/real(gridLocal(1))
-   mesh_node0(2,n) = real(j)*geomSizeLocal(2)/real(gridLocal(2))
-   mesh_node0(3,n) = real(k)*geomSizeLocal(3)/real(gridLocal(3)) + geomSizeOffset
- enddo; enddo; enddo 
+ forall (n = 0_pInt:mesh_Nnodes-1_pInt)
+   mesh_node0(1,n+1_pInt) = mesh_unitlength * &
+           geomSizeLocal(1)*real(mod(n,(gridLocal(1)+1_pInt) ),pReal) &
+                                                  / real(gridLocal(1),pReal)
+   mesh_node0(2,n+1_pInt) = mesh_unitlength * &
+           geomSizeLocal(2)*real(mod(n/(gridLocal(1)+1_pInt),(gridLocal(2)+1_pInt)),pReal) &
+                                                  / real(gridLocal(2),pReal)
+   mesh_node0(3,n+1_pInt) = mesh_unitlength * &
+           geomSizeLocal(3)*real(mod(n/(gridLocal(1)+1_pInt)/(gridLocal(2)+1_pInt),(gridLocal(3)+1_pInt)),pReal) &
+                                                  / real(gridLocal(3),pReal) + &
+           geomSizeOffset                                       
+ end forall 

 mesh_node = mesh_node0

@ -1599,14 +1604,7 @@ function mesh_regrid(adaptive,resNewInput,minRes)
 !--------------------------------------------------------------------------------------------------
 ! read in deformation gradient to calculate coordinates, shape depend of selected solver
 select case(spectral_solver)
-   case('basic')
-     allocate(spectralF33(3,3,grid(1),grid(2),grid(3)))
-     call IO_read_realFile(FILEUNIT,'F',trim(getSolverJobName()),size(spectralF33))
-     read (FILEUNIT,rec=1) spectralF33
-     close (FILEUNIT)
-     Favg = sum(sum(sum(spectralF33,dim=5),dim=4),dim=3) * wgt
-     coordinates = reshape(mesh_deformedCoordsFFT(geomSize,spectralF33),[3,mesh_NcpElems])
-   case('basicpetsc','al')
+   case('basicpetsc','al','polarization')
     allocate(spectralF9(9,grid(1),grid(2),grid(3)))
     call IO_read_realFile(FILEUNIT,'F',trim(getSolverJobName()),size(spectralF9))
     read (FILEUNIT,rec=1) spectralF9
@ -1751,14 +1749,7 @@ function mesh_regrid(adaptive,resNewInput,minRes)
 !--------------------------------------------------------------------------------------------------
 ! set F to average values
 select case(spectral_solver)     
-   case('basic')
-     allocate(spectralF33New(3,3,resNew(1),resNew(2),resNew(3)))
-     spectralF33New = spread(spread(spread(Favg,3,resNew(1)),4,resNew(2)),5,resNew(3))
-     call IO_write_jobRealFile(FILEUNIT,'F',size(spectralF33New))
-     write (FILEUNIT,rec=1) spectralF33New
-     close (FILEUNIT)
-     
-   case('basicpetsc','al')
+   case('basicpetsc','al','polarization')
     allocate(spectralF9New(9,resNew(1),resNew(2),resNew(3)))
     spectralF9New = spread(spread(spread(reshape(Favg,[9]),2,resNew(1)),3,resNew(2)),4,resNew(3))
     call IO_write_jobRealFile(FILEUNIT,'F',size(spectralF9New))
--- a/processing/post/postResults.py
+++ b/processing/post/postResults.py
@ -138,7 +138,7 @@ class MPIEspectral_result:    # mimic py_post result object
    if self.element_scalars == None:
      self.N_element_scalars = self._keyedPackedArray('materialpoint_sizeResults',count=1,type='i',default=0)[0]

-    self.N_positions  = (self.filesize-self.dataOffset)/(8+self.N_elements*self.N_element_scalars*8)
+    self.N_positions  = (self.filesize-self.dataOffset)/(self.N_elements*self.N_element_scalars*8)
    self.N_increments = 1                                                    # add zero'th entry
    for i in range(self.N_loadcases):
      self.N_increments += self._increments[i]//self._frequencies[i]
@ -268,7 +268,7 @@ class MPIEspectral_result:    # mimic py_post result object

  def element_scalar(self,e,idx):
    incStart =  self.dataOffset \
-             +  self.position*8*(self.N_elements*self.N_element_scalars)
+             +  self.position*8*self.N_elements*self.N_element_scalars
                                # header & footer + extra header and footer for 4 byte int range (Fortran)
                                # values
    where = (e*self.N_element_scalars + idx)*8