Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements

.gitlab-ci.yml

@@ -72,7 +72,7 @@ variables:
   MSC2018_1:                       "FEM/MSC/2018.1"
   MSC2019:                         "FEM/MSC/2019"
   # ------------ Defaults ----------------------------------------------
-  MSC:                             "$MSC2018_1"
+  MSC:                             "$MSC2019"
   IntelMarc:                       "$IntelCompiler17_8"
   IntelAbaqus:                     "$IntelCompiler16_4"
   HDF5Marc:                        "HDF5/1.10.4/Intel-17.8"

CONFIG

@@ -4,8 +4,8 @@
 set DAMASK_NUM_THREADS    = 4
 
 set MSC_ROOT              = /opt/msc
-set MARC_VERSION          = 2018.1
+set MARC_VERSION          = 2019
 
 set ABAQUS_VERSION        = 2019
 
-set DAMASK_HDF5           = OFF
+set DAMASK_HDF5           = ON

src/DAMASK_marc2019.f90

@@ -0,0 +1 @@
+DAMASK_marc.f90

src/HDF5_utilities.f90

@@ -112,10 +112,14 @@ subroutine HDF5_utilities_init
   call h5open_f(hdferr)
   if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5open_f')
 
+#ifndef Marc4DAMASK
+! This test should ensure that integer size matches. For some reasons, the HDF5 libraries
+! that come with MSC.Marc>=2019 seem to be of 4byte even though it is a 8byte Marc version
   call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
   if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)')
   if (int(bit_size(0),SIZE_T)/=typeSize*8) &
     call IO_error(0,ext_msg='Default integer size does not match H5T_NATIVE_INTEGER')
+#endif
 
   call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
   if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)')
@@ -128,7 +132,7 @@ end subroutine HDF5_utilities_init
 !--------------------------------------------------------------------------------------------------
 !> @brief open and initializes HDF5 output file
 !--------------------------------------------------------------------------------------------------
-integer(HID_T) function HDF5_openFile(fileName,mode,parallel) ! ToDo: simply "open" is enough
+integer(HID_T) function HDF5_openFile(fileName,mode,parallel)
 
   character(len=*), intent(in)           :: fileName
   character,        intent(in), optional :: mode

src/rotations.f90

@@ -244,7 +244,7 @@ pure function rotVector(self,v,active) result(vRot)
   if (dEq0(norm2(v))) then
     vRot = v
   else
-    v_normed = v_normed/norm2(v)
+    v_normed = v/norm2(v)
     if (passive) then
       q = self%q * (quaternion([0.0_pReal, v_normed(1), v_normed(2), v_normed(3)]) * conjg(self%q) )
     else