adding new option OPTIMIZATION with values OFF, DEFENSIVE and AGGRESSIVE to makefile. Polishing of makefile and DAMASK_spectral.f90

code/DAMASK_spectral.f90

@@ -520,10 +520,10 @@ if ((N_l + N_Fdot /= N_n).or.(N_n /= N_t)) &              ! sanity check
        temp33_Real = defgrad(i,j,k,:,:)
        if (velGradApplied(loadcase)) &       ! using velocity gradient to calculate new deformation gradient (if not guessing)
          deltaF = math_mul33x33(bc_deformation(:,:,loadcase),defgradold(i,j,k,:,:))
-       defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) &        ! decide if guessing along former trajectory or apply homogeneous addon (addon only for applied deformation)
+         defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) &        ! decide if guessing along former trajectory or apply homogeneous addon (addon only for applied deformation)
-                          + guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))&
+                            + guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))&
-                          + (1.0_pReal-guessmode) * mask_defgrad * deltaF *timeinc
+                            + (1.0_pReal-guessmode) * mask_defgrad * deltaF *timeinc
-       defgradold(i,j,k,:,:) = temp33_Real   
+         defgradold(i,j,k,:,:) = temp33_Real   
      enddo; enddo; enddo
 
      guessmode = 1.0_pReal                              ! keep guessing along former trajectory during same loadcase
@@ -598,7 +598,7 @@ if ((N_l + N_Fdot /= N_n).or.(N_n /= N_t)) &              ! sanity check
          defgradAimCorr     = - (1.0_pReal - mask_defgrad) &             ! allow alteration of all non-fixed defgrad components
                             * math_mul3333xx33(s0, (mask_stress*(pstress_av - bc_stress(:,:,loadcase)))) ! residual on given stress components
 
-         do m=1,3; do n =1,3                                        ! calculate damper (correction is far too strong) !ToDo: Check for better values
+         do m=1,3; do n =1,3                                        ! calculate damper
            if (defgradAimCorr(m,n) * defgradAimCorrPrev(m,n) < -relevantStrain ** 2.0_pReal) then ! insignificant within relevantstrain around zero
              damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
            else
@@ -853,7 +853,7 @@ if ((N_l + N_Fdot /= N_n).or.(N_n /= N_t)) &              ! sanity check
 !!!!!!!!!!!!!!!!!!!!!!!! end divergence debugging 
          print '(2(a,E8.2))', ' error stress:               ',err_stress, '  Tol. = ', err_stress_tol 
          print '(2(a,E8.2))', ' error deformation gradient: ',err_defgrad,'  Tol. = ', err_defgrad_tol 
-
+                                                                              !ToDo: usefull .and. for err_div?
          if((err_stress > err_stress_tol .or. err_defgrad > err_defgrad_tol) .and. err_div < err_div_tol) then  ! change to calculation of BCs, reset damper etc.
            calcmode = 0_pInt
            defgradAimCorr = 0.0_pReal

code/makefile

@@ -17,52 +17,61 @@
 # VERSION = 10 (12): version of Intel compiler. More aggressive optimization if VERSION =12
 # PORTABLE = TRUE (FALSE): decision, if executable is optimized for the machine on which it was built
 
-
+ifeq ($(F90), )
-ifeq ($(F90), gfortran)
-OPENMP_FLAG =-fopenmp
-OPTIMIZATION_AGGRESSIVE =-O3
-OPTIMIZATION_DEFENSIVE =-O2
-COMPILE_OPTIONS =-xf95-cpp-input
-HEAP_ARRAYS =
-
-else
 F90 =ifort
+endif
+
+ifeq ($(OPTIMIZATION), )
+OPTIMIZATION =DEFENSIVE
+endif
+MAXOPTI =$(OPTIMIZATION)
+
+ifeq ($(F90), ifort)
 
 ifeq ($(PORTABLE), FALSE)
 PORTABLE_SWITCH =-xHost
 endif
-
+ifneq ($(VERSION), 12)
-OPENMP_FLAG =-openmp
+ifeq ($(OPTIMIZATION), AGGRESSIVE)
-HEAP_ARRAYS =-heap-arrays 500000000
+MAXOPTI =DEFENSIVE
-COMPILE_OPTIONS =-fpp -diag-disable 8291,8290
+endif
-#fpp: for preprocessor, diag-disable: switch off messages on formatting of output
-OPTIMIZATION_AGGRESSIVE =-O3 -static $(PORTABLE_SWITCH)
-
-ifeq ($(VERSION), 12)
-OPTIMIZATION_DEFENSIVE =$(OPTIMIZATION_AGGRESIVE)
-else
-OPTIMIZATION_DEFENSIVE =-O2
 endif
 
 endif
 
+OPENMP_FLAG_ifort =-openmp
+OPENMP_FLAG_gfortran =-fopenmp
 
-COMPILE =$(OPENMP_FLAG) $(COMPILE_OPTIONS) $(OPTIMIZATION_AGGRESSIVE) -c
+OPTIMIZATION_OFF_ifort =-O0
-COMPILE_HEAP =$(COMPILE) $(HEAP_ARRAYS)
+OPTIMIZATION_OFF_gfortran =-O0
-COMPILE_HEAP_DEFENSIVE =$(OPENMP_FLAG) $(COMPILE_OPTIONS) $(OPTIMIZATION_DEFENSIVE) -c $(HEAP_ARRAYS)
+OPTIMIZATION_DEFENSIVE_ifort =-O2
+OPTIMIZATION_DEFENSIVE_gfortran =-O2
+OPTIMIZATION_AGGRESSIVE_ifort =-O3 -static $(PORTABLE_SWITCH)
+OPTIMIZATION_AGGRESSIVE_gfortran =-O3
+
+COMPILE_OPTIONS_ifort =-fpp -diag-disable 8291,8290
+COMPILE_OPTIONS_gfortran =-xf95-cpp-input
+
+HEAP_ARRAYS_ifort =-heap-arrays 500000000
+HEAP_ARRAYS_gfortran =
+
+
+COMPILE =${OPENMP_FLAG_${F90}} ${COMPILE_OPTIONS_${F90}} ${OPTIMIZATION_${OPTIMIZATION}_${F90}} -c
+COMPILE_HEAP =$(COMPILE) ${HEAP_ARRAYS_${F90}}
+COMPILE_HEAP_MAXOPTI =${OPENMP_FLAG_${F90}} ${COMPILE_OPTIONS_${F90}} ${OPTIMIZATION_${MAXOPTI}_${F90}} ${HEAP_ARRAYS_${F90}} -c
 
    
 ifeq ($(PRECISION),single)
 DAMASK_spectral_single.exe: DAMASK_spectral_single.o CPFEM.a
-	$(F90) $(OPENMP_FLAG) -o DAMASK_spectral_single.exe DAMASK_spectral_single.o CPFEM.a include/libfftw3f_threads.a include/libfftw3f.a constitutive.a advanced.a basics.a -lpthread
+	$(F90) ${OPENMP_FLAG_${F90}} -o DAMASK_spectral_single.exe DAMASK_spectral_single.o CPFEM.a include/libfftw3f_threads.a include/libfftw3f.a constitutive.a advanced.a basics.a -lpthread
 DAMASK_spectral_single.o: DAMASK_spectral_single.f90 CPFEM.o 
-	$(F90) $(COMPILE_HEAP_DEFENSIVE) DAMASK_spectral_single.f90 
+	$(F90) $(COMPILE_HEAP_MAXOPTI) DAMASK_spectral_single.f90 
 
 else
 DAMASK_spectral.exe: DAMASK_spectral.o CPFEM.a
-	$(F90) $(OPENMP_FLAG) -o DAMASK_spectral.exe DAMASK_spectral.o CPFEM.a include/libfftw3_threads.a include/libfftw3.a constitutive.a advanced.a basics.a -lpthread
+	$(F90) ${OPENMP_FLAG_${F90}} -o DAMASK_spectral.exe DAMASK_spectral.o CPFEM.a include/libfftw3_threads.a include/libfftw3.a constitutive.a advanced.a basics.a -lpthread
 DAMASK_spectral.o: DAMASK_spectral.f90 CPFEM.o 
-	$(F90) $(COMPILE_HEAP_DEFENSIVE) DAMASK_spectral.f90 
+	$(F90) $(COMPILE_HEAP_MAXOPTI) DAMASK_spectral.f90 
 endif
 
 CPFEM.a: CPFEM.o