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fixed usage of OpenMP function library

This commit is contained in:
Franz Roters 2012-06-12 09:44:05 +00:00
parent fc7b4d6471
commit 5b7f2e122e
5 changed files with 72 additions and 71 deletions
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4
code/DAMASK_marc.f90
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@ -238,10 +238,10 @@ subroutine hypela2(&
debug_reset
use mesh, only: mesh_FEasCP
use CPFEM, only: CPFEM_initAll,CPFEM_general,CPFEM_init_done
!$ use OMP_LIB ! the openMP function library
!$ use numerics, only: DAMASK_NumThreadsInt ! number of threads set by DAMASK_NUM_THREADS
implicit none
implicit none
include "omp_lib.h" ! the openMP function library
! ** Start of generated type statements **
real(pReal) coord, d, de, disp, dispt, dt, e, eigvn, eigvn1, ffn, ffn1
real(pReal) frotn, frotn1, g

2
code/DAMASK_spectral.f90
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@ -107,8 +107,6 @@ program DAMASK_spectral
materialpoint_sizeResults, &
materialpoint_results
!$ use OMP_LIB ! the openMP function library
implicit none
!--------------------------------------------------------------------------------------------------
! variables related to information from load case and geom file

2
code/DAMASK_spectral_AL.f90
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@ -105,8 +105,6 @@ program DAMASK_spectral_AL
materialpoint_sizeResults, &
materialpoint_results
!$ use OMP_LIB ! the openMP function library
implicit none
!--------------------------------------------------------------------------------------------------
! variables to read from load case and geom file

13
code/Makefile
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@ -43,6 +43,7 @@ ACMLROOT :=/opt/acml4.4.0
F90 ?=ifort
COMPILERNAME ?= $(F90)
INCLUDE_DIRS +=-I$(DAMASK_ROOT)/lib
ifeq "$(FASTBUILD)" "YES"
OPENMP :=OFF
@ -105,13 +106,13 @@ endif
endif
ifdef STANDARD_CHECK
STANDARD_CHECK_ifort =$(STANDARD_CHECK)
STANDARD_CHECK_gfortran =$(STANDARD_CHECK)
STANDARD_CHECK_ifort =$(STANDARD_CHECK) -DSTANDARD_CHECK
STANDARD_CHECK_gfortran =$(STANDARD_CHECK) -DSTANDARD_CHECK
endif
ifneq "$(FASTBUILD)" "YES"
STANDARD_CHECK_ifort ?=-stand f08 -standard-semantics -warn stderrors
STANDARD_CHECK_gfortran ?=-std=f2008 -fall-intrinsics
STANDARD_CHECK_ifort ?=-stand f08 -standard-semantics -warn stderrors -DSTANDARD_CHECK
STANDARD_CHECK_gfortran ?=-std=f2008 -fall-intrinsics -DSTANDARD_CHECK
endif
#-fall-intrinsics: all intrinsic procedures (including the GNU-specific extensions) are accepted. This can be useful with -std=f95 to force standard-compliance
# but get access to the full range of intrinsics available with gfortran. As a consequence, -Wintrinsics-std will be ignored and no user-defined
@ -254,8 +255,8 @@ endif
#-fdefault-integer-8: set precision to 8 bytes for standard integer (=4 for pInt)
##################################################################################################
COMPILE =$(OPENMP_FLAG_$(F90)) $(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(OPTI)_$(F90))
COMPILE_MAXOPTI =$(OPENMP_FLAG_$(F90)) $(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90))
COMPILE =$(OPENMP_FLAG_$(F90)) $(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(OPTI)_$(F90)) $(INCLUDE_DIRS)
COMPILE_MAXOPTI =$(OPENMP_FLAG_$(F90)) $(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(INCLUDE_DIRS)
###################################################################################################
COMPILED_FILES = prec.o DAMASK_spectral_interface.o IO.o numerics.o debug.o math.o \
FEsolving.o mesh.o material.o lattice.o \

122
code/numerics.f90
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@ -26,67 +26,67 @@ use prec, only: pInt, pReal
implicit none
character(len=64), parameter, private ::&
numerics_configFile = 'numerics.config' ! name of configuration file
numerics_configFile = 'numerics.config' ! name of configuration file
integer(pInt) :: iJacoStiffness = 1_pInt, & ! frequency of stiffness update
iJacoLpresiduum = 1_pInt, & ! frequency of Jacobian update of residuum in Lp
nHomog = 20_pInt, & ! homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
nMPstate = 10_pInt, & ! materialpoint state loop limit
nCryst = 20_pInt, & ! crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
nState = 10_pInt, & ! state loop limit
nStress = 40_pInt, & ! stress loop limit
pert_method = 1_pInt, & ! method used in perturbation technique for tangent
numerics_integrationMode = 0_pInt ! integrationMode 1 = central solution ; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
integer(pInt), dimension(2) :: numerics_integrator = 1_pInt ! method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
real(pReal) :: relevantStrain = 1.0e-7_pReal, & ! strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
defgradTolerance = 1.0e-7_pReal, & ! deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
pert_Fg = 1.0e-7_pReal, & ! strain perturbation for FEM Jacobi
subStepMinCryst = 1.0e-3_pReal, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
subStepMinHomog = 1.0e-3_pReal, & ! minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeCryst = 0.25_pReal, & ! size of first substep when cutback in crystallite
subStepSizeHomog = 0.25_pReal, & ! size of first substep when cutback in homogenization
stepIncreaseCryst = 1.5_pReal, & ! increase of next substep size when previous substep converged in crystallite
stepIncreaseHomog = 1.5_pReal, & ! increase of next substep size when previous substep converged in homogenization
rTol_crystalliteState = 1.0e-6_pReal, & ! relative tolerance in crystallite state loop
rTol_crystalliteTemperature= 1.0e-6_pReal, & ! relative tolerance in crystallite temperature loop
rTol_crystalliteStress = 1.0e-6_pReal, & ! relative tolerance in crystallite stress loop
aTol_crystalliteStress = 1.0e-8_pReal, & ! absolute tolerance in crystallite stress loop, Default 1.0e-8: residuum is in Lp and hence strain is on this order
integer(pInt) :: iJacoStiffness = 1_pInt, & ! frequency of stiffness update
iJacoLpresiduum = 1_pInt, & ! frequency of Jacobian update of residuum in Lp
nHomog = 20_pInt, & ! homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
nMPstate = 10_pInt, & ! materialpoint state loop limit
nCryst = 20_pInt, & ! crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
nState = 10_pInt, & ! state loop limit
nStress = 40_pInt, & ! stress loop limit
pert_method = 1_pInt, & ! method used in perturbation technique for tangent
numerics_integrationMode = 0_pInt ! integrationMode 1 = central solution ; integrationMode 2 = perturbation, Default 0: undefined, is not read from file
integer(pInt), dimension(2) :: numerics_integrator = 1_pInt ! method used for state integration (central & perturbed state), Default 1: fix-point iteration for both states
real(pReal) :: relevantStrain = 1.0e-7_pReal, & ! strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
defgradTolerance = 1.0e-7_pReal, & ! deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
pert_Fg = 1.0e-7_pReal, & ! strain perturbation for FEM Jacobi
subStepMinCryst = 1.0e-3_pReal, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
subStepMinHomog = 1.0e-3_pReal, & ! minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeCryst = 0.25_pReal, & ! size of first substep when cutback in crystallite
subStepSizeHomog = 0.25_pReal, & ! size of first substep when cutback in homogenization
stepIncreaseCryst = 1.5_pReal, & ! increase of next substep size when previous substep converged in crystallite
stepIncreaseHomog = 1.5_pReal, & ! increase of next substep size when previous substep converged in homogenization
rTol_crystalliteState = 1.0e-6_pReal, & ! relative tolerance in crystallite state loop
rTol_crystalliteTemperature= 1.0e-6_pReal, & ! relative tolerance in crystallite temperature loop
rTol_crystalliteStress = 1.0e-6_pReal, & ! relative tolerance in crystallite stress loop
aTol_crystalliteStress = 1.0e-8_pReal, & ! absolute tolerance in crystallite stress loop, Default 1.0e-8: residuum is in Lp and hence strain is on this order
absTol_RGC = 1.0e+4_pReal, & ! absolute tolerance of RGC residuum
relTol_RGC = 1.0e-3_pReal, & ! relative tolerance of RGC residuum
absMax_RGC = 1.0e+10_pReal, & ! absolute maximum of RGC residuum
relMax_RGC = 1.0e+2_pReal, & ! relative maximum of RGC residuum
pPert_RGC = 1.0e-7_pReal, & ! perturbation for computing RGC penalty tangent
xSmoo_RGC = 1.0e-5_pReal, & ! RGC penalty smoothing parameter (hyperbolic tangent)
viscPower_RGC = 1.0e+0_pReal, & ! power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
viscModus_RGC = 0.0e+0_pReal, & ! stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
refRelaxRate_RGC = 1.0e-3_pReal, & ! reference relaxation rate in RGC viscosity
maxdRelax_RGC = 1.0e+0_pReal, & ! threshold of maximum relaxation vector increment (if exceed this then cutback)
maxVolDiscr_RGC = 1.0e-5_pReal, & ! threshold of maximum volume discrepancy allowed
volDiscrMod_RGC = 1.0e+12_pReal, & ! stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
volDiscrPow_RGC = 5.0_pReal, & ! powerlaw penalty for volume discrepancy
absTol_RGC = 1.0e+4_pReal, & ! absolute tolerance of RGC residuum
relTol_RGC = 1.0e-3_pReal, & ! relative tolerance of RGC residuum
absMax_RGC = 1.0e+10_pReal, & ! absolute maximum of RGC residuum
relMax_RGC = 1.0e+2_pReal, & ! relative maximum of RGC residuum
pPert_RGC = 1.0e-7_pReal, & ! perturbation for computing RGC penalty tangent
xSmoo_RGC = 1.0e-5_pReal, & ! RGC penalty smoothing parameter (hyperbolic tangent)
viscPower_RGC = 1.0e+0_pReal, & ! power (sensitivity rate) of numerical viscosity in RGC scheme, Default 1.0e0: Newton viscosity (linear model)
viscModus_RGC = 0.0e+0_pReal, & ! stress modulus of RGC numerical viscosity, Default 0.0e0: No viscosity is applied
refRelaxRate_RGC = 1.0e-3_pReal, & ! reference relaxation rate in RGC viscosity
maxdRelax_RGC = 1.0e+0_pReal, & ! threshold of maximum relaxation vector increment (if exceed this then cutback)
maxVolDiscr_RGC = 1.0e-5_pReal, & ! threshold of maximum volume discrepancy allowed
volDiscrMod_RGC = 1.0e+12_pReal, & ! stiffness of RGC volume discrepancy (zero = without volume discrepancy constraint)
volDiscrPow_RGC = 5.0_pReal, & ! powerlaw penalty for volume discrepancy
!* spectral parameters:
err_div_tol = 0.1_pReal, & ! Div(P)/avg(P)*meter
err_stress_tolrel = 0.01_pReal, & ! relative tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
err_stress_tolabs = huge(1.0_pReal), & ! absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
fftw_timelimit = -1.0_pReal, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
rotation_tol = 1.0e-12_pReal ! tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
character(len=64) :: fftw_plan_mode = 'FFTW_PATIENT' ! reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
integer(pInt) :: fftw_planner_flag = 32_pInt, & ! conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
itmax = 20_pInt, & ! maximum number of iterations
itmin = 2_pInt ! minimum number of iterations
logical :: memory_efficient = .true., & ! for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
divergence_correction = .false., & ! correct divergence calculation in fourier space, Default .false.: no correction
update_gamma = .false., & ! update gamma operator with current stiffness, Default .false.: use initial stiffness
err_div_tol = 0.1_pReal, & ! Div(P)/avg(P)*meter
err_stress_tolrel = 0.01_pReal, & ! relative tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
err_stress_tolabs = huge(1.0_pReal), & ! absolute tolerance for fullfillment of stress BC, Default: 0.01 allowing deviation of 1% of maximum stress
fftw_timelimit = -1.0_pReal, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
rotation_tol = 1.0e-12_pReal ! tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
character(len=64) :: fftw_plan_mode = 'FFTW_PATIENT' ! reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
integer(pInt) :: fftw_planner_flag = 32_pInt, & ! conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
itmax = 20_pInt, & ! maximum number of iterations
itmin = 2_pInt ! minimum number of iterations
logical :: memory_efficient = .true., & ! for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
divergence_correction = .false., & ! correct divergence calculation in fourier space, Default .false.: no correction
update_gamma = .false., & ! update gamma operator with current stiffness, Default .false.: use initial stiffness
!* end of spectral parameters:
analyticJaco = .false. ! use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
analyticJaco = .false. ! use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
!* Random seeding parameters
integer(pInt) :: fixedSeed = 0_pInt ! fixed seeding for pseudo-random number generator, Default 0: use random seed
integer(pInt) :: fixedSeed = 0_pInt ! fixed seeding for pseudo-random number generator, Default 0: use random seed
!* OpenMP variable
integer(pInt) :: DAMASK_NumThreadsInt = 0_pInt ! value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
integer(pInt) :: DAMASK_NumThreadsInt = 0_pInt ! value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
CONTAINS
@ -96,7 +96,7 @@ CONTAINS
!*******************************************
subroutine numerics_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use IO, only: IO_error, &
IO_open_file_stat, &
IO_isBlank, &
@ -106,16 +106,20 @@ subroutine numerics_init
IO_floatValue, &
IO_intValue, &
IO_warning
!$ use OMP_LIB ! the openMP function library
implicit none
#ifdef STANDARD_CHECK ! If STANDARD_CHECK is defined (as in the makefile for the spectral solver by setting
!$ use OMP_LIB ! -DSTANDARD_CHECK use the module file for the openMP function library
#endif ! REASON: module file crashes with Marc but omp_lib.h is not standard conform
implicit none ! and ifort will does not compile it (gfortran seems to have an exeption)
#ifndef STANDARD_CHECK ! if STANDARD_CHECK is not defined (e.g. when compiling with Marc or Abaqus)
!$ include "omp_lib.h" ! use this file for the openMP function library
#endif
integer(pInt), parameter :: fileunit = 300_pInt ,&
maxNchunks = 2_pInt
!$ integer :: gotDAMASK_NUM_THREADS = 1
integer(pInt), dimension(1+2*maxNchunks) :: positions
character(len=64) :: tag
character(len=1024) :: line
!$ character(len=6) DAMASK_NumThreadsString !environment variable DAMASK_NUM_THREADS
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
!$OMP CRITICAL (write2out)
write(6,*)
@ -272,8 +276,8 @@ subroutine numerics_init
endif
select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
fftw_planner_flag = 64_pInt
case('measure','fftw_measure')
fftw_planner_flag = 0_pInt