diff --git a/code/DAMASK_abaqus_exp.f b/code/DAMASK_abaqus_exp.f index 537a3d82f..eff898e3e 100644 --- a/code/DAMASK_abaqus_exp.f +++ b/code/DAMASK_abaqus_exp.f @@ -35,14 +35,24 @@ contains !> @brief just reporting !-------------------------------------------------------------------------------------------------- subroutine DAMASK_interface_init - + integer, dimension(8) :: & + dateAndTime ! type default integer + call date_and_time(values = dateAndTime) write(6,'(/,a)') ' <<<+- DAMASK_abaqus_exp -+>>>' + write(6,'(/,a)') ' Version: '//DAMASKVERSION + write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& + dateAndTime(2),'/',& + dateAndTime(1) + write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',& + dateAndTime(6),':',& + dateAndTime(7) write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>' -#include "compilation_info.f90" +#include "compilation_info.f90" end subroutine DAMASK_interface_init + !-------------------------------------------------------------------------------------------------- !> @brief using Abaqus/Explicit function to get working directory name !-------------------------------------------------------------------------------------------------- diff --git a/code/DAMASK_abaqus_std.f b/code/DAMASK_abaqus_std.f index 1de3b249a..faec60650 100644 --- a/code/DAMASK_abaqus_std.f +++ b/code/DAMASK_abaqus_std.f @@ -35,8 +35,17 @@ contains !> @brief just reporting !-------------------------------------------------------------------------------------------------- subroutine DAMASK_interface_init - + integer, dimension(8) :: & + dateAndTime ! type default integer + call date_and_time(values = dateAndTime) write(6,'(/,a)') ' <<<+- DAMASK_abaqus_std -+>>>' + write(6,'(/,a)') ' Version: '//DAMASKVERSION + write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& + dateAndTime(2),'/',& + dateAndTime(1) + write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',& + dateAndTime(6),':',& + dateAndTime(7) write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>' #include "compilation_info.f90" diff --git a/code/math.f90 b/code/math.f90 index ef88901b7..8636ad6bc 100644 --- a/code/math.f90 +++ b/code/math.f90 @@ -2094,10 +2094,9 @@ pure function math_invariantsSym33(m) real(pReal), dimension(3) :: math_invariantsSym33 math_invariantsSym33(1) = math_trace33(m) - - math_invariantsSym33(2) = math_invariantsSym33(1)**2.0_pReal/2.0_pReal- (M(1,1)**2.0_pReal+M(2,2)**2.0_pReal+M(3,3)**2.0_pReal)& - /2.0_pReal-M(1,2)*M(2,1)-M(1,3)*M(3,1)-M(2,3)*M(3,2) - math_invariantsSym33(3) = math_det33(m) + math_invariantsSym33(2) = m(1,1)*m(2,2) + m(1,1)*m(3,3) + m(2,2)*m(3,3) & + -(m(1,2)**2 + m(1,3)**2 + m(2,3)**2) + math_invariantsSym33(3) = math_detSym33(m) end function math_invariantsSym33 diff --git a/installation/mods_Abaqus/abaqus_v6.env b/installation/mods_Abaqus/abaqus_v6.env index ccf447c19..ac205d5c7 100644 --- a/installation/mods_Abaqus/abaqus_v6.env +++ b/installation/mods_Abaqus/abaqus_v6.env @@ -12,6 +12,7 @@ # Compile_cpp and link_exe for Abaqus make utility. # import os, re, glob, driverUtils +from damask import version as DAMASKVERSION # Use the version in $PATH fortCmd = "ifort" @@ -34,7 +35,8 @@ compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " + "-I%I -I../lib -free -O1 -fpp -openmp " + "-ftz -diag-disable 5268 " + "-implicitnone -assume byterecl -stand f08 -standard-semantics " + - "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4") + "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " + + '-DDAMASKVERSION=\\\"%s\\\"'%DAMASKVERSION) # Abaqus/CAE will generate an input file without parts and assemblies. cae_no_parts_input_file=ON diff --git a/installation/mods_Abaqus/abaqus_v6_serial.env b/installation/mods_Abaqus/abaqus_v6_serial.env index 880a3c055..94e065e08 100644 --- a/installation/mods_Abaqus/abaqus_v6_serial.env +++ b/installation/mods_Abaqus/abaqus_v6_serial.env @@ -12,6 +12,7 @@ # Compile_cpp and link_exe for Abaqus make utility. # import os, re, glob, driverUtils +from damask import version as DAMASKVERSION # Use the version in $PATH fortCmd = "ifort" @@ -29,15 +30,13 @@ fortCmd = "ifort" # -assume byterecl count record length in bytes # -real-size 64 -DFLOAT=8 assume size of real to be 8 bytes, matches our definition of pReal # -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt -# -L/usr/lib64 -L/usr/lib search path for lapack libraries -# -Wl,-rpath=/usr/lib64,-rpath=/usr/lib run path for lapack libraries -# -llapack link against lapack compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " + "-I%I -I../lib -free -O1 -fpp " + "-ftz -diag-disable 5268 " + "-implicitnone -assume byterecl -stand f08 -standard-semantics " + - "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4") + "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " + + '-DDAMASKVERSION=\\\"%s\\\"'%DAMASKVERSION) # Abaqus/CAE will generate an input file without parts and assemblies. cae_no_parts_input_file=ON diff --git a/lib/damask/util.py b/lib/damask/util.py index b1a25a03d..b3e35812a 100644 --- a/lib/damask/util.py +++ b/lib/damask/util.py @@ -180,7 +180,6 @@ other codes refers to the source code of minpack.py: ''' from numpy import (array, arcsin, asarray, cos, dot, eye, empty_like, isscalar,finfo, take, triu, transpose, sqrt, sin) -from scipy.optimize import _minpack def _check_func(checker, argname, thefunc, x0, args, numinputs, output_shape=None): @@ -279,6 +278,7 @@ def _ext2intLocal(bound): def leastsqBound(func, x0, args=(), bounds=None, Dfun=None, full_output=0, col_deriv=0, ftol=1.49012e-8, xtol=1.49012e-8, gtol=0.0, maxfev=0, epsfcn=None, factor=100, diag=None): + from scipy.optimize import _minpack ''' An internal parameter list is used to enforce contraints on the fitting parameters. The transfomation is based on that of MINUIT package.