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

This commit is contained in:
Martin Diehl 2016-11-11 06:44:57 +01:00
parent b86d91e8a4 20755e897b
commit f88f2cd16a
249 changed files with 5101 additions and 108470 deletions
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7
DAMASK_env.csh
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@ -25,11 +25,11 @@ endif
# this seems to make sense for the stack size # this seems to make sense for the stack size
if ( `which free` != "free: Command not found." ) then if ( `which free` != "free: Command not found." ) then
set freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'` set freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'`
set stack=`expr $freeMem / $DAMASK_NUM_THREADS / 2`
set heap=` expr $freeMem / 2` set heap=` expr $freeMem / 2`
set stack=`expr $freeMem / $DAMASK_NUM_THREADS / 2`
# http://superuser.com/questions/220059/what-parameters-has-ulimit # http://superuser.com/questions/220059/what-parameters-has-ulimit
limit stacksize $stack # maximum stack size (kB)
limit datasize $heap # maximum heap size (kB) limit datasize $heap # maximum heap size (kB)
limit stacksize $stack # maximum stack size (kB)
endif endif
if ( `limit | grep memoryuse` != "" ) then if ( `limit | grep memoryuse` != "" ) then
limit memoryuse unlimited # maximum physical memory size limit memoryuse unlimited # maximum physical memory size
@ -53,9 +53,6 @@ if ( $?prompt ) then
if ( $?PETSC_DIR) then if ( $?PETSC_DIR) then
echo "PETSc location $PETSC_DIR" echo "PETSc location $PETSC_DIR"
endif endif
if ( $?PETSC_ARCH) then
echo "PETSc architecture $PETSC_ARCH"
endif
if ( $?MSC_ROOT) then if ( $?MSC_ROOT) then
echo "MSC.Marc/Mentat $MSC_ROOT" echo "MSC.Marc/Mentat $MSC_ROOT"
endif endif

4
DAMASK_env.sh
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@ -40,8 +40,8 @@ FREE=$(which free 2>/dev/null)
if [ "x$FREE" != "x" ]; then if [ "x$FREE" != "x" ]; then
freeMem=$(free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}') freeMem=$(free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}')
# http://superuser.com/questions/220059/what-parameters-has-ulimit # http://superuser.com/questions/220059/what-parameters-has-ulimit
ulimit -s $(expr $freeMem / $DAMASK_NUM_THREADS / 2) 2>/dev/null # maximum stack size (kB)
ulimit -d $(expr $freeMem / 2) 2>/dev/null # maximum heap size (kB) ulimit -d $(expr $freeMem / 2) 2>/dev/null # maximum heap size (kB)
ulimit -s $(expr $freeMem / $DAMASK_NUM_THREADS / 2) 2>/dev/null # maximum stack size (kB)
fi fi
ulimit -v unlimited 2>/dev/null # maximum virtual memory size ulimit -v unlimited 2>/dev/null # maximum virtual memory size
ulimit -m unlimited 2>/dev/null # maximum physical memory size ulimit -m unlimited 2>/dev/null # maximum physical memory size
@ -63,8 +63,6 @@ if [ ! -z "$PS1" ]; then
[[ $(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR") == $PETSC_DIR ]] \ [[ $(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR") == $PETSC_DIR ]] \
|| echo " ~~> "$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR") || echo " ~~> "$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR")
fi fi
[[ "x$PETSC_ARCH" == "x" ]] \
|| echo "PETSc architecture $PETSC_ARCH"
echo "MSC.Marc/Mentat $MSC_ROOT" echo "MSC.Marc/Mentat $MSC_ROOT"
echo echo
echo -n "heap size " echo -n "heap size "

95
DAMASK_env.zsh
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@ -1,74 +1,87 @@
# sets up an environment for DAMASK on bash # sets up an environment for DAMASK on zsh
# usage: source DAMASK_env.sh # usage: source DAMASK_env.zsh
if [ "$OSTYPE" = "linux-gnu" ] || [ "$OSTYPE" = 'linux' ]; then DAMASK_ROOT=${0:a:h}
DAMASK_ROOT=$(readlink -f "`dirname ${(%):-%N}`")
else
print 'Not done yet'
fi
[[ -f $HOME/.damask/damask.conf ]] && source $HOME/.damask/damask.conf || source /etc/damask.conf # defining set() allows to source the same file for tcsh and zsh, with and without space around =
set() {
export $1$2$3
}
source $DAMASK_ROOT/CONFIG
unset -f set
# if DAMASK_BIN is present and not in $PATH, add it # add DAMASK_BIN if present but not yet in $PATH
#if [[ [[ "x$DAMASK_BIN" != "x" ]] && ! `echo ":$PATH:" | grep $DAMASK_BIN:` ]]; then MATCH=`echo ":$PATH:" | grep $DAMASK_BIN:`
if [[ ( "x$DAMASK_BIN" != "x" ) && ( "x$MATCH" = "x" ) ]]; then
export PATH=$DAMASK_BIN:$PATH export PATH=$DAMASK_BIN:$PATH
#fi fi
SOLVER=`which DAMASK_spectral 2>/dev/null` SOLVER=`which DAMASK_spectral 2>/dev/null`
if [ "x$SOLVER" = "x" ]; then
export SOLVER='Not found!'
fi
PROCESSING=`which postResults 2>/dev/null` PROCESSING=`which postResults 2>/dev/null`
if [ "x$PROCESSING" = "x" ]; then if [ "x$DAMASK_NUM_THREADS" = "x" ]; then
export PROCESSING='Not found!' DAMASK_NUM_THREADS=1
fi fi
# according to http://software.intel.com/en-us/forums/topic/501500 # according to http://software.intel.com/en-us/forums/topic/501500
# this seems to make sense for the stack size # this seems to make sense for the stack size
#FREE=`which free 2>/dev/null` if [ "`which free 2>/dev/null`" != "free not found" ]; then
#if [ "x$FREE" != "x" ]; then freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'`
# freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'`
# heap=`expr $freeMem / 2` # http://superuser.com/questions/220059/what-parameters-has-ulimit
# stack=`expr $freeMem / 2` #ulimit -d `expr $freeMem / 2` 2>/dev/null # maximum heap size (kB)
# ulimit -s `expr $freeMem / $DAMASK_NUM_THREADS / 2` 2>/dev/null # maximum stack size (kB)
# # http://superuser.com/questions/220059/what-parameters-has-ulimit fi
# ulimit -s $stack 2>/dev/null # maximum stack size (kB) ulimit -v unlimited 2>/dev/null # maximum virtual memory size
# ulimit -d $heap 2>/dev/null # maximum heap size (kB)
#fi
#ulimit -c 2000 2>/dev/null # core file size (512-byte blocks)
#ulimit -v unlimited 2>/dev/null # maximum virtual memory size
ulimit -m unlimited 2>/dev/null # maximum physical memory size ulimit -m unlimited 2>/dev/null # maximum physical memory size
# disable output in case of scp # disable output in case of scp
if [ ! -z "$PS1" ]; then if [ ! -z "$PS1" ]; then
echo echo
echo Düsseldorf Advanced Materials Simulation Kit - DAMASK echo Düsseldorf Advanced Materials Simulation Kit --- DAMASK
echo Max-Planck-Institut für Eisenforschung, Düsseldorf echo Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf
echo http://damask.mpie.de echo https://damask.mpie.de
echo echo
echo Using environment with ... echo "Using environment with ..."
echo "DAMASK $DAMASK_ROOT" echo "DAMASK $DAMASK_ROOT"
[[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER" echo "Spectral Solver $SOLVER"
[[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING" echo "Post Processing $PROCESSING"
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
if [ "x$PETSC_DIR" != "x" ]; then if [ "x$PETSC_DIR" != "x" ]; then
echo "PETSc location $PETSC_DIR" echo "PETSc location $PETSC_DIR"
[[ `readlink -f $PETSC_DIR` == $PETSC_DIR ]] || echo " ~~> "`readlink -f $PETSC_DIR` [[ $(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR") == $PETSC_DIR ]] \
|| echo " ~~> "$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR")
fi fi
[[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH" [[ "x$PETSC_ARCH" == "x" ]] \
|| echo "PETSc architecture $PETSC_ARCH"
echo "MSC.Marc/Mentat $MSC_ROOT" echo "MSC.Marc/Mentat $MSC_ROOT"
echo echo
echo -n "heap size/MiB "; echo "`ulimit -d`/1024" | bc echo -n "heap size "
echo -n "stack size/MiB "; echo "`ulimit -s`/1024" | bc [[ "$(ulimit -d)" == "unlimited" ]] \
&& echo "unlimited" \
|| echo $(python -c \
"import math; \
size=$(( 1024*$(ulimit -d) )); \
print('{:.4g} {}'.format(size / (1 << ((int(math.log(size,2) / 10) if size else 0) * 10)), \
['bytes','KiB','MiB','GiB','TiB','EiB','ZiB'][int(math.log(size,2) / 10) if size else 0]))")
echo -n "stack size "
[[ "$(ulimit -s)" == "unlimited" ]] \
&& echo "unlimited" \
|| echo $(python -c \
"import math; \
size=$(( 1024*$(ulimit -s) )); \
print('{:.4g} {}'.format(size / (1 << ((int(math.log(size,2) / 10) if size else 0) * 10)), \
['bytes','KiB','MiB','GiB','TiB','EiB','ZiB'][int(math.log(size,2) / 10) if size else 0]))")
fi fi
export DAMASK_NUM_THREADS export DAMASK_NUM_THREADS
export PYTHONPATH=$DAMASK_ROOT/lib:$PYTHONPATH export PYTHONPATH=$DAMASK_ROOT/lib:$PYTHONPATH
for var in BASE STAT SOLVER PROCESSING FREE; do for var in BASE STAT SOLVER PROCESSING FREE DAMASK_BIN MATCH; do
unset "${var}" unset "${var}"
done done
for var in DAMASK IMKL ACML LAPACK MSC FFTW HDF5; do for var in DAMASK MSC; do
unset "${var}_ROOT" unset "${var}_ROOT"
done done
for var in ABAQUS MARC; do
unset "${var}_VERSION"
done

2
VERSION
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@ -1 +1 @@
v2.0.1-150-g5345b42 v2.0.1-306-g2d0193e

53
code/CPFEM.f90
View File

@ -10,7 +10,6 @@ module CPFEM
implicit none implicit none
private private
#if defined(Marc4DAMASK) || defined(Abaqus)
real(pReal), parameter, private :: & real(pReal), parameter, private :: &
CPFEM_odd_stress = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle CPFEM_odd_stress = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle
CPFEM_odd_jacobian = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle CPFEM_odd_jacobian = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle
@ -20,7 +19,6 @@ module CPFEM
CPFEM_dcsdE !< Cauchy stress tangent CPFEM_dcsdE !< Cauchy stress tangent
real(pReal), dimension (:,:,:,:), allocatable, private :: & real(pReal), dimension (:,:,:,:), allocatable, private :: &
CPFEM_dcsdE_knownGood !< known good tangent CPFEM_dcsdE_knownGood !< known good tangent
#endif
integer(pInt), public :: & integer(pInt), public :: &
cycleCounter = 0_pInt, & !< needs description cycleCounter = 0_pInt, & !< needs description
theInc = -1_pInt, & !< needs description theInc = -1_pInt, & !< needs description
@ -83,10 +81,6 @@ subroutine CPFEM_initAll(el,ip)
use IO, only: & use IO, only: &
IO_init IO_init
use DAMASK_interface use DAMASK_interface
#ifdef FEM
use FEZoo, only: &
FEZoo_init
#endif
implicit none implicit none
integer(pInt), intent(in) :: el, & !< FE el number integer(pInt), intent(in) :: el, & !< FE el number
@ -97,9 +91,6 @@ subroutine CPFEM_initAll(el,ip)
call DAMASK_interface_init ! Spectral and FEM interface to commandline call DAMASK_interface_init ! Spectral and FEM interface to commandline
call prec_init call prec_init
call IO_init call IO_init
#ifdef FEM
call FEZoo_init
#endif
call numerics_init call numerics_init
call debug_init call debug_init
call math_init call math_init
@ -138,16 +129,12 @@ subroutine CPFEM_init
debug_levelBasic, & debug_levelBasic, &
debug_levelExtensive debug_levelExtensive
use FEsolving, only: & use FEsolving, only: &
#if defined(Marc4DAMASK) || defined(Abaqus)
symmetricSolver, & symmetricSolver, &
#endif
restartRead, & restartRead, &
modelName modelName
#if defined(Marc4DAMASK) || defined(Abaqus)
use mesh, only: & use mesh, only: &
mesh_NcpElems, & mesh_NcpElems, &
mesh_maxNips mesh_maxNips
#endif
use material, only: & use material, only: &
material_phase, & material_phase, &
homogState, & homogState, &
@ -173,12 +160,10 @@ subroutine CPFEM_init
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess endif mainProcess
#if defined(Marc4DAMASK) || defined(Abaqus)
! initialize stress and jacobian to zero ! initialize stress and jacobian to zero
allocate(CPFEM_cs(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_cs = 0.0_pReal allocate(CPFEM_cs(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_cs = 0.0_pReal
allocate(CPFEM_dcsdE(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE = 0.0_pReal allocate(CPFEM_dcsdE(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE = 0.0_pReal
allocate(CPFEM_dcsdE_knownGood(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE_knownGood = 0.0_pReal allocate(CPFEM_dcsdE_knownGood(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE_knownGood = 0.0_pReal
#endif
! *** restore the last converged values of each essential variable from the binary file ! *** restore the last converged values of each essential variable from the binary file
if (restartRead) then if (restartRead) then
@ -243,21 +228,17 @@ subroutine CPFEM_init
enddo readHomogInstances enddo readHomogInstances
close (777) close (777)
#if defined(Marc4DAMASK) || defined(Abaqus)
call IO_read_realFile(777,'convergeddcsdE',modelName,size(CPFEM_dcsdE)) call IO_read_realFile(777,'convergeddcsdE',modelName,size(CPFEM_dcsdE))
read (777,rec=1) CPFEM_dcsdE read (777,rec=1) CPFEM_dcsdE
close (777) close (777)
#endif
restartRead = .false. restartRead = .false.
endif endif
#if defined(Marc4DAMASK) || defined(Abaqus)
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) then if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) then
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs) write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs)
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE) write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood) write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
write(6,'(a32,l1)') 'symmetricSolver: ', symmetricSolver write(6,'(a32,l1)') 'symmetricSolver: ', symmetricSolver
endif endif
#endif
flush(6) flush(6)
end subroutine CPFEM_init end subroutine CPFEM_init
@ -266,11 +247,7 @@ end subroutine CPFEM_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief perform initialization at first call, update variables and call the actual material model !> @brief perform initialization at first call, update variables and call the actual material model
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#if defined(Marc4DAMASK) || defined(Abaqus)
subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyStress, jacobian) subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyStress, jacobian)
#else
subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
#endif
use numerics, only: & use numerics, only: &
defgradTolerance, & defgradTolerance, &
iJacoStiffness, & iJacoStiffness, &
@ -281,7 +258,6 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
debug_levelBasic, & debug_levelBasic, &
debug_levelExtensive, & debug_levelExtensive, &
debug_levelSelective, & debug_levelSelective, &
#if defined(Marc4DAMASK) || defined(Abaqus)
debug_stressMaxLocation, & debug_stressMaxLocation, &
debug_stressMinLocation, & debug_stressMinLocation, &
debug_jacobianMaxLocation, & debug_jacobianMaxLocation, &
@ -290,7 +266,6 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
debug_stressMin, & debug_stressMin, &
debug_jacobianMax, & debug_jacobianMax, &
debug_jacobianMin, & debug_jacobianMin, &
#endif
debug_e, & debug_e, &
debug_i debug_i
use FEsolving, only: & use FEsolving, only: &
@ -348,12 +323,10 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
use homogenization, only: & use homogenization, only: &
materialpoint_F, & materialpoint_F, &
materialpoint_F0, & materialpoint_F0, &
#if defined(Marc4DAMASK) || defined(Abaqus)
materialpoint_P, & materialpoint_P, &
materialpoint_dPdF, & materialpoint_dPdF, &
materialpoint_results, & materialpoint_results, &
materialpoint_sizeResults, & materialpoint_sizeResults, &
#endif
materialpoint_stressAndItsTangent, & materialpoint_stressAndItsTangent, &
materialpoint_postResults materialpoint_postResults
use IO, only: & use IO, only: &
@ -368,7 +341,6 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
real(pReal), dimension (3,3), intent(in) :: ffn, & !< deformation gradient for t=t0 real(pReal), dimension (3,3), intent(in) :: ffn, & !< deformation gradient for t=t0
ffn1 !< deformation gradient for t=t1 ffn1 !< deformation gradient for t=t1
integer(pInt), intent(in) :: mode !< computation mode 1: regular computation plus aging of results integer(pInt), intent(in) :: mode !< computation mode 1: regular computation plus aging of results
#if defined(Marc4DAMASK) || defined(Abaqus)
real(pReal), intent(in) :: temperature_inp !< temperature real(pReal), intent(in) :: temperature_inp !< temperature
logical, intent(in) :: parallelExecution !< flag indicating parallel computation of requested IPs logical, intent(in) :: parallelExecution !< flag indicating parallel computation of requested IPs
real(pReal), dimension(6), intent(out) :: cauchyStress !< stress vector in Mandel notation real(pReal), dimension(6), intent(out) :: cauchyStress !< stress vector in Mandel notation
@ -381,20 +353,13 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
real(pReal), dimension (3,3,3,3) :: H_sym, & real(pReal), dimension (3,3,3,3) :: H_sym, &
H, & H, &
jacobian3333 ! jacobian in Matrix notation jacobian3333 ! jacobian in Matrix notation
#else
logical, parameter :: parallelExecution = .true.
#endif
integer(pInt) elCP, & ! crystal plasticity element number integer(pInt) elCP, & ! crystal plasticity element number
i, j, k, l, m, n, ph, homog, mySource i, j, k, l, m, n, ph, homog, mySource
logical updateJaco ! flag indicating if JAcobian has to be updated logical updateJaco ! flag indicating if JAcobian has to be updated
character(len=1024) :: rankStr character(len=1024) :: rankStr
#if defined(Marc4DAMASK) || defined(Abaqus)
elCP = mesh_FEasCP('elem',elFE) elCP = mesh_FEasCP('elem',elFE)
#else
elCP = elFE
#endif
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt & if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt &
.and. elCP == debug_e .and. ip == debug_i) then .and. elCP == debug_e .and. ip == debug_i) then
@ -411,13 +376,10 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
write(6,'(a,/)') '#############################################'; flush (6) write(6,'(a,/)') '#############################################'; flush (6)
endif endif
#if defined(Marc4DAMASK) || defined(Abaqus)
if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) & if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) &
CPFEM_dcsde_knownGood = CPFEM_dcsde CPFEM_dcsde_knownGood = CPFEM_dcsde
if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) & if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) &
CPFEM_dcsde = CPFEM_dcsde_knownGood CPFEM_dcsde = CPFEM_dcsde_knownGood
#endif
!*** age results and write restart data if requested !*** age results and write restart data if requested
if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) then if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) then
@ -514,11 +476,9 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
enddo writeHomogInstances enddo writeHomogInstances
close (777) close (777)
#if defined(Marc4DAMASK) || defined(Abaqus)
call IO_write_jobRealFile(777,'convergeddcsdE',size(CPFEM_dcsdE)) call IO_write_jobRealFile(777,'convergeddcsdE',size(CPFEM_dcsdE))
write (777,rec=1) CPFEM_dcsdE write (777,rec=1) CPFEM_dcsdE
close (777) close (777)
#endif
endif endif
endif ! results aging endif ! results aging
@ -529,22 +489,18 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
!* If no parallel execution is required, there is no need to collect FEM input !* If no parallel execution is required, there is no need to collect FEM input
if (.not. parallelExecution) then if (.not. parallelExecution) then
#if defined(Marc4DAMASK) || defined(Abaqus)
temperature(material_homog(ip,elCP))%p(thermalMapping(material_homog(ip,elCP))%p(ip,elCP)) = & temperature(material_homog(ip,elCP))%p(thermalMapping(material_homog(ip,elCP))%p(ip,elCP)) = &
temperature_inp temperature_inp
#endif
materialpoint_F0(1:3,1:3,ip,elCP) = ffn materialpoint_F0(1:3,1:3,ip,elCP) = ffn
materialpoint_F(1:3,1:3,ip,elCP) = ffn1 materialpoint_F(1:3,1:3,ip,elCP) = ffn1
elseif (iand(mode, CPFEM_COLLECT) /= 0_pInt) then elseif (iand(mode, CPFEM_COLLECT) /= 0_pInt) then
#if defined(Marc4DAMASK) || defined(Abaqus)
call random_number(rnd) call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = rnd * CPFEM_odd_stress CPFEM_cs(1:6,ip,elCP) = rnd * CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian * math_identity2nd(6) CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian * math_identity2nd(6)
temperature(material_homog(ip,elCP))%p(thermalMapping(material_homog(ip,elCP))%p(ip,elCP)) = & temperature(material_homog(ip,elCP))%p(thermalMapping(material_homog(ip,elCP))%p(ip,elCP)) = &
temperature_inp temperature_inp
#endif
materialpoint_F0(1:3,1:3,ip,elCP) = ffn materialpoint_F0(1:3,1:3,ip,elCP) = ffn
materialpoint_F(1:3,1:3,ip,elCP) = ffn1 materialpoint_F(1:3,1:3,ip,elCP) = ffn1
CPFEM_calc_done = .false. CPFEM_calc_done = .false.
@ -569,12 +525,10 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
endif endif
outdatedFFN1 = .true. outdatedFFN1 = .true.
endif endif
#if defined(Marc4DAMASK) || defined(Abaqus)
call random_number(rnd) call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = rnd*CPFEM_odd_stress CPFEM_cs(1:6,ip,elCP) = rnd*CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian*math_identity2nd(6) CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian*math_identity2nd(6)
#endif
!*** deformation gradient is not outdated !*** deformation gradient is not outdated
@ -607,7 +561,6 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
endif endif
!* map stress and stiffness (or return odd values if terminally ill) !* map stress and stiffness (or return odd values if terminally ill)
#if defined(Marc4DAMASK) || defined(Abaqus)
terminalIllness: if ( terminallyIll ) then terminalIllness: if ( terminallyIll ) then
call random_number(rnd) call random_number(rnd)
@ -648,11 +601,8 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
CPFEM_dcsde(1:6,1:6,ip,elCP) = math_Mandel3333to66(J_inverse * H_sym) CPFEM_dcsde(1:6,1:6,ip,elCP) = math_Mandel3333to66(J_inverse * H_sym)
endif terminalIllness endif terminalIllness
#endif
endif validCalculation endif validCalculation
#if defined(Marc4DAMASK) || defined(Abaqus)
!* report stress and stiffness !* report stress and stiffness
if ((iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) & if ((iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
.and. ((debug_e == elCP .and. debug_i == ip) & .and. ((debug_e == elCP .and. debug_i == ip) &
@ -663,11 +613,9 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
'<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal '<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
flush(6) flush(6)
endif endif
#endif
endif endif
#if defined(Marc4DAMASK) || defined(Abaqus)
!*** warn if stiffness close to zero !*** warn if stiffness close to zero
if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip) if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip)
@ -696,7 +644,6 @@ subroutine CPFEM_general(mode, ffn, ffn1, dt, elFE, ip)
debug_jacobianMinLocation = [elCP, ip] debug_jacobianMinLocation = [elCP, ip]
debug_jacobianMin = minval(jacobian3333) debug_jacobianMin = minval(jacobian3333)
endif endif
#endif
end subroutine CPFEM_general end subroutine CPFEM_general

1
code/DAMASK_abaqus_std.f
View File

@ -116,7 +116,6 @@ subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
CPFEM_CALCRESULTS, & CPFEM_CALCRESULTS, &
CPFEM_AGERESULTS, & CPFEM_AGERESULTS, &
CPFEM_COLLECT, & CPFEM_COLLECT, &
CPFEM_RESTOREJACOBIAN, &
CPFEM_BACKUPJACOBIAN, & CPFEM_BACKUPJACOBIAN, &
cycleCounter, & cycleCounter, &
theInc, & theInc, &

16
code/DAMASK_marc.f90
View File

@ -244,13 +244,13 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
if (iand(debug_level(debug_MARC),debug_LEVELBASIC) /= 0_pInt) then if (iand(debug_level(debug_MARC),debug_LEVELBASIC) /= 0_pInt) then
write(6,'(a,/,i8,i8,i2)') ' MSC.MARC information on shape of element(2), IP:', m, nn write(6,'(a,/,i8,i8,i2)') ' MSC.MARC information on shape of element(2), IP:', m, nn
write(6,'(a,2(1i))'), ' Jacobian: ', ngens,ngens write(6,'(a,2(i1))') ' Jacobian: ', ngens,ngens
write(6,'(a,1i)'), ' Direct stress: ', ndi write(6,'(a,i1)') ' Direct stress: ', ndi
write(6,'(a,1i)'), ' Shear stress: ', nshear write(6,'(a,i1)') ' Shear stress: ', nshear
write(6,'(a,1i)'), ' DoF: ', ndeg write(6,'(a,i2)') ' DoF: ', ndeg
write(6,'(a,1i)'), ' Coordinates: ', ncrd write(6,'(a,i2)') ' Coordinates: ', ncrd
write(6,'(a,1i)'), ' Nodes: ', nnode write(6,'(a,i12)') ' Nodes: ', nnode
write(6,'(a,1i)'), ' Deformation gradient: ', itel write(6,'(a,i1)') ' Deformation gradient: ', itel
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', &
math_transpose33(ffn) math_transpose33(ffn)
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', &
@ -421,4 +421,4 @@ subroutine plotv(v,s,sp,etot,eplas,ecreep,t,m,nn,layer,ndi,nshear,jpltcd)
if (jpltcd > materialpoint_sizeResults) call IO_error(700_pInt,jpltcd) ! complain about out of bounds error if (jpltcd > materialpoint_sizeResults) call IO_error(700_pInt,jpltcd) ! complain about out of bounds error
v = materialpoint_results(jpltcd,nn,mesh_FEasCP('elem', m)) v = materialpoint_results(jpltcd,nn,mesh_FEasCP('elem', m))
end subroutine plotv end subroutine plotv

62
code/DAMASK_spectral.f90
View File

@ -192,7 +192,7 @@ program DAMASK_spectral
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1_pInt) & ! sanity check if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1_pInt) & ! sanity check
call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
allocate (loadCases(N_n)) ! array of load cases allocate (loadCases(N_n)) ! array of load cases
loadCases%P%myType='p' loadCases%stress%myType='stress'
do i = 1, size(loadCases) do i = 1, size(loadCases)
allocate(loadCases(i)%ID(nActiveFields)) allocate(loadCases(i)%ID(nActiveFields))
@ -244,10 +244,10 @@ program DAMASK_spectral
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
enddo enddo
loadCases(currentLoadCase)%P%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) loadCases(currentLoadCase)%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
loadCases(currentLoadCase)%P%maskFloat = merge(ones,zeros,& loadCases(currentLoadCase)%stress%maskFloat = merge(ones,zeros,&
loadCases(currentLoadCase)%P%maskLogical) loadCases(currentLoadCase)%stress%maskLogical)
loadCases(currentLoadCase)%P%values = math_plain9to33(temp_valueVector) loadCases(currentLoadCase)%stress%values = math_plain9to33(temp_valueVector)
case('t','time','delta') ! increment time case('t','time','delta') ! increment time
loadCases(currentLoadCase)%time = IO_floatValue(line,chunkPos,i+1_pInt) loadCases(currentLoadCase)%time = IO_floatValue(line,chunkPos,i+1_pInt)
case('n','incs','increments','steps') ! number of increments case('n','incs','increments','steps') ! number of increments
@ -318,16 +318,16 @@ program DAMASK_spectral
endif endif
enddo; write(6,'(/)',advance='no') enddo; write(6,'(/)',advance='no')
enddo enddo
if (any(loadCases(currentLoadCase)%P%maskLogical .eqv. & if (any(loadCases(currentLoadCase)%stress%maskLogical .eqv. &
loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
if (any(loadCases(currentLoadCase)%P%maskLogical .and. & if (any(loadCases(currentLoadCase)%stress%maskLogical .and. &
transpose(loadCases(currentLoadCase)%P%maskLogical) .and. & transpose(loadCases(currentLoadCase)%stress%maskLogical) .and. &
reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) & reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
errorID = 838_pInt ! no rotation is allowed by stress BC errorID = 838_pInt ! no rotation is allowed by stress BC
write(6,'(2x,a)') 'stress / GPa:' write(6,'(2x,a)') 'stress / GPa:'
do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt
if(loadCases(currentLoadCase)%P%maskLogical(i,j)) then if(loadCases(currentLoadCase)%stress%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%P%values(i,j)*1e-9_pReal write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%stress%values(i,j)*1e-9_pReal
else else
write(6,'(2x,12a)',advance='no') ' * ' write(6,'(2x,12a)',advance='no') ' * '
endif endif
@ -524,30 +524,25 @@ program DAMASK_spectral
case (DAMASK_spectral_SolverBasicPETSc_label) case (DAMASK_spectral_SolverBasicPETSc_label)
call BasicPETSc_forward (& call BasicPETSc_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, & guess,timeinc,timeIncOld,remainingLoadCaseTime, &
F_BC = loadCases(currentLoadCase)%deformation, & deformation_BC = loadCases(currentLoadCase)%deformation, &
P_BC = loadCases(currentLoadCase)%P, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverAL_label) case (DAMASK_spectral_SolverAL_label)
call AL_forward (& call AL_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, & guess,timeinc,timeIncOld,remainingLoadCaseTime, &
F_BC = loadCases(currentLoadCase)%deformation, & deformation_BC = loadCases(currentLoadCase)%deformation, &
P_BC = loadCases(currentLoadCase)%P, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverPolarisation_label) case (DAMASK_spectral_SolverPolarisation_label)
call Polarisation_forward (& call Polarisation_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, & guess,timeinc,timeIncOld,remainingLoadCaseTime, &
F_BC = loadCases(currentLoadCase)%deformation, & deformation_BC = loadCases(currentLoadCase)%deformation, &
P_BC = loadCases(currentLoadCase)%P, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
end select end select
case(FIELD_THERMAL_ID) case(FIELD_THERMAL_ID); call spectral_thermal_forward()
call spectral_thermal_forward (& case(FIELD_DAMAGE_ID); call spectral_damage_forward()
guess,timeinc,timeIncOld,remainingLoadCaseTime)
case(FIELD_DAMAGE_ID)
call spectral_damage_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime)
end select end select
enddo enddo
@ -562,34 +557,29 @@ program DAMASK_spectral
select case (spectral_solver) select case (spectral_solver)
case (DAMASK_spectral_SolverBasicPETSc_label) case (DAMASK_spectral_SolverBasicPETSc_label)
solres(field) = BasicPETSC_solution (& solres(field) = BasicPETSC_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, & incInfo,timeinc,timeIncOld, &
P_BC = loadCases(currentLoadCase)%P, & stress_BC = loadCases(currentLoadCase)%stress, &
F_BC = loadCases(currentLoadCase)%deformation, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverAL_label) case (DAMASK_spectral_SolverAL_label)
solres(field) = AL_solution (& solres(field) = AL_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, & incInfo,timeinc,timeIncOld, &
P_BC = loadCases(currentLoadCase)%P, & stress_BC = loadCases(currentLoadCase)%stress, &
F_BC = loadCases(currentLoadCase)%deformation, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
case (DAMASK_spectral_SolverPolarisation_label) case (DAMASK_spectral_SolverPolarisation_label)
solres(field) = Polarisation_solution (& solres(field) = Polarisation_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, & incInfo,timeinc,timeIncOld, &
P_BC = loadCases(currentLoadCase)%P, & stress_BC = loadCases(currentLoadCase)%stress, &
F_BC = loadCases(currentLoadCase)%deformation, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
end select end select
case(FIELD_THERMAL_ID) case(FIELD_THERMAL_ID)
solres(field) = spectral_thermal_solution (& solres(field) = spectral_thermal_solution(timeinc,timeIncOld,remainingLoadCaseTime)
guess,timeinc,timeIncOld,remainingLoadCaseTime)
case(FIELD_DAMAGE_ID) case(FIELD_DAMAGE_ID)
solres(field) = spectral_damage_solution (& solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime)
guess,timeinc,timeIncOld,remainingLoadCaseTime)
end select end select
if (.not. solres(field)%converged) exit ! no solution found if (.not. solres(field)%converged) exit ! no solution found

12
code/IO.f90
View File

@ -1267,8 +1267,8 @@ integer(pInt) function IO_countContinuousIntValues(fileUnit)
line = IO_read(fileUnit, .true.) ! reset IO_read line = IO_read(fileUnit, .true.) ! reset IO_read
exit exit
elseif (IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'to' ) then ! found range indicator elseif (IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'to' ) then ! found range indicator
IO_countContinuousIntValues = 1_pInt + IO_intValue(line,chunkPos,3_pInt) & IO_countContinuousIntValues = 1_pInt + abs( IO_intValue(line,chunkPos,3_pInt) &
- IO_intValue(line,chunkPos,1_pInt) - IO_intValue(line,chunkPos,1_pInt))
line = IO_read(fileUnit, .true.) ! reset IO_read line = IO_read(fileUnit, .true.) ! reset IO_read
exit ! only one single range indicator allowed exit ! only one single range indicator allowed
else if (IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'of' ) then ! found multiple entries indicator else if (IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'of' ) then ! found multiple entries indicator
@ -1321,9 +1321,9 @@ function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
lookupMaxN lookupMaxN
integer(pInt), dimension(:,:), intent(in) :: lookupMap integer(pInt), dimension(:,:), intent(in) :: lookupMap
character(len=64), dimension(:), intent(in) :: lookupName character(len=64), dimension(:), intent(in) :: lookupName
integer(pInt) :: i integer(pInt) :: i,first,last
#ifdef Abaqus #ifdef Abaqus
integer(pInt) :: j,l,c,first,last integer(pInt) :: j,l,c
#endif #endif
integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt), allocatable, dimension(:) :: chunkPos
@ -1348,7 +1348,9 @@ function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
enddo enddo
exit exit
else if (chunkPos(1) > 2_pInt .and. IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'to' ) then ! found range indicator else if (chunkPos(1) > 2_pInt .and. IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'to' ) then ! found range indicator
do i = IO_intValue(line,chunkPos,1_pInt),IO_intValue(line,chunkPos,3_pInt) first = IO_intValue(line,chunkPos,1_pInt)
last = IO_intValue(line,chunkPos,3_pInt)
do i = first, last, sign(1_pInt,last-first)
IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt
IO_continuousIntValues(1+IO_continuousIntValues(1)) = i IO_continuousIntValues(1+IO_continuousIntValues(1)) = i
enddo enddo

4
code/Makefile
View File

@ -22,7 +22,7 @@ DAMASKVERSION :=$(shell cat ../VERSION)
include ${PETSC_DIR}/lib/petsc/conf/variables include ${PETSC_DIR}/lib/petsc/conf/variables
include ${PETSC_DIR}/lib/petsc/conf/rules include ${PETSC_DIR}/lib/petsc/conf/rules
INCLUDE_DIRS := $(PETSC_FC_INCLUDES) -DPETSc -I../lib INCLUDE_DIRS := $(PETSC_FC_INCLUDES) -DPETSc
LIBRARIES := $(PETSC_WITH_EXTERNAL_LIB) LIBRARIES := $(PETSC_WITH_EXTERNAL_LIB)
FCOMPILERNAME ?= $(FC) FCOMPILERNAME ?= $(FC)
CCOMPILERNAME ?= $(CC) CCOMPILERNAME ?= $(CC)
@ -65,7 +65,7 @@ endif
# settings for shared memory multicore support # settings for shared memory multicore support
ifeq "$(OPENMP)" "ON" ifeq "$(OPENMP)" "ON"
OPENMP_FLAG_ifort =-openmp -openmp-report0 -parallel OPENMP_FLAG_ifort =-qopenmp -parallel
OPENMP_FLAG_gfortran =-fopenmp OPENMP_FLAG_gfortran =-fopenmp
endif endif

24
code/crystallite.f90
View File

@ -508,13 +508,11 @@ end subroutine crystallite_init
subroutine crystallite_stressAndItsTangent(updateJaco) subroutine crystallite_stressAndItsTangent(updateJaco)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dNeq dNeq0
use numerics, only: & use numerics, only: &
subStepMinCryst, & subStepMinCryst, &
subStepSizeCryst, & subStepSizeCryst, &
stepIncreaseCryst, & stepIncreaseCryst, &
pert_Fg, &
pert_method, &
nCryst, & nCryst, &
numerics_integrator, & numerics_integrator, &
numerics_integrationMode, & numerics_integrationMode, &
@ -574,7 +572,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
logical, intent(in) :: & logical, intent(in) :: &
updateJaco !< whether to update the Jacobian (stiffness) or not updateJaco !< whether to update the Jacobian (stiffness) or not
real(pReal) :: & real(pReal) :: &
myPert, & ! perturbation with correct sign
formerSubStep, & formerSubStep, &
subFracIntermediate subFracIntermediate
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
@ -586,14 +583,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
c, & !< counter in integration point component loop c, & !< counter in integration point component loop
i, & !< counter in integration point loop i, & !< counter in integration point loop
e, & !< counter in element loop e, & !< counter in element loop
k, &
l, &
n, startIP, endIP, & n, startIP, endIP, &
neighboring_e, & neighboring_e, &
neighboring_i, & neighboring_i, &
o, & o, &
p, & p, &
perturbation , & ! loop counter for forward,backward perturbation mode
myNcomponents, & myNcomponents, &
mySource mySource
! local variables used for calculating analytic Jacobian ! local variables used for calculating analytic Jacobian
@ -782,7 +776,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
endif endif
else else
subFracIntermediate = maxval(crystallite_subFrac, mask=.not.crystallite_localPlasticity) subFracIntermediate = maxval(crystallite_subFrac, mask=.not.crystallite_localPlasticity)
if (dNeq(subFracIntermediate,0.0_pReal)) then if (dNeq0(subFracIntermediate)) then
crystallite_neighborEnforcedCutback = .false. ! look for ips that require a cutback because of a nonconverged neighbor crystallite_neighborEnforcedCutback = .false. ! look for ips that require a cutback because of a nonconverged neighbor
!$OMP PARALLEL !$OMP PARALLEL
!$OMP DO PRIVATE(neighboring_e,neighboring_i) !$OMP DO PRIVATE(neighboring_e,neighboring_i)
@ -823,7 +817,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
!$OMP DO PRIVATE(neighboring_e,neighboring_i) !$OMP DO PRIVATE(neighboring_e,neighboring_i)
do e = FEsolving_execElem(1),FEsolving_execElem(2) do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if (.not. crystallite_localPlasticity(1,i,e) .and. dNeq(crystallite_subFrac(1,i,e),0.0_pReal)) then if (.not. crystallite_localPlasticity(1,i,e) .and. dNeq0(crystallite_subFrac(1,i,e))) then
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e)))) do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e))))
neighboring_e = mesh_ipNeighborhood(1,n,i,e) neighboring_e = mesh_ipNeighborhood(1,n,i,e)
neighboring_i = mesh_ipNeighborhood(2,n,i,e) neighboring_i = mesh_ipNeighborhood(2,n,i,e)
@ -3076,7 +3070,7 @@ end subroutine crystallite_integrateStateFPI
logical function crystallite_stateJump(ipc,ip,el) logical function crystallite_stateJump(ipc,ip,el)
use prec, only: & use prec, only: &
prec_isNaN, & prec_isNaN, &
dNeq dNeq0
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_crystallite, & debug_crystallite, &
@ -3128,7 +3122,7 @@ logical function crystallite_stateJump(ipc,ip,el)
enddo enddo
#ifndef _OPENMP #ifndef _OPENMP
if (any(dNeq(plasticState(p)%deltaState(1:mySizePlasticDeltaState,c),0.0_pReal)) & if (any(dNeq0(plasticState(p)%deltaState(1:mySizePlasticDeltaState,c))) &
.and. iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & .and. iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
@ -3184,7 +3178,7 @@ logical function crystallite_integrateStress(&
use prec, only: pLongInt, & use prec, only: pLongInt, &
tol_math_check, & tol_math_check, &
prec_isNaN, & prec_isNaN, &
dEq dEq0
use numerics, only: nStress, & use numerics, only: nStress, &
aTol_crystalliteStress, & aTol_crystalliteStress, &
rTol_crystalliteStress, & rTol_crystalliteStress, &
@ -3331,7 +3325,7 @@ logical function crystallite_integrateStress(&
!* inversion of Fp_current... !* inversion of Fp_current...
invFp_current = math_inv33(Fp_current) invFp_current = math_inv33(Fp_current)
failedInversionFp: if (all(dEq(invFp_current,0.0_pReal))) then failedInversionFp: if (all(dEq0(invFp_current))) then
#ifndef _OPENMP #ifndef _OPENMP
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fp_current at el (elFE) ip g ',& write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fp_current at el (elFE) ip g ',&
@ -3347,7 +3341,7 @@ logical function crystallite_integrateStress(&
!* inversion of Fi_current... !* inversion of Fi_current...
invFi_current = math_inv33(Fi_current) invFi_current = math_inv33(Fi_current)
failedInversionFi: if (all(dEq(invFi_current,0.0_pReal))) then failedInversionFi: if (all(dEq0(invFi_current))) then
#ifndef _OPENMP #ifndef _OPENMP
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fi_current at el (elFE) ip ipc ',& write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fi_current at el (elFE) ip ipc ',&
@ -3606,7 +3600,7 @@ logical function crystallite_integrateStress(&
invFp_new = math_mul33x33(invFp_current,B) invFp_new = math_mul33x33(invFp_current,B)
invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
Fp_new = math_inv33(invFp_new) Fp_new = math_inv33(invFp_new)
failedInversionInvFp: if (all(dEq(Fp_new,0.0_pReal))) then failedInversionInvFp: if (all(dEq0(Fp_new))) then
#ifndef _OPENMP #ifndef _OPENMP
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip ipc ',& write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip ipc ',&

4
code/homogenization_RGC.f90
View File

@ -387,7 +387,7 @@ end subroutine homogenization_RGC_partitionDeformation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el) function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
use prec, only: & use prec, only: &
dEq dEq0
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_homogenization,& debug_homogenization,&
@ -443,7 +443,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
real(pReal), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix,rmatrix real(pReal), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix,rmatrix
real(pReal), dimension(:), allocatable :: resid,relax,p_relax,p_resid,drelax real(pReal), dimension(:), allocatable :: resid,relax,p_relax,p_resid,drelax
zeroTimeStep: if(dEq(dt,0.0_pReal)) then zeroTimeStep: if(dEq0(dt)) then
homogenization_RGC_updateState = .true. ! pretend everything is fine and return homogenization_RGC_updateState = .true. ! pretend everything is fine and return
return return
endif zeroTimeStep endif zeroTimeStep

8
code/kinematics_hydrogen_strain.f90
View File

@ -67,8 +67,6 @@ subroutine kinematics_hydrogen_strain_init(fileUnit)
KINEMATICS_hydrogen_strain_ID, & KINEMATICS_hydrogen_strain_ID, &
material_Nphase, & material_Nphase, &
MATERIAL_partPhase MATERIAL_partPhase
use numerics,only: &
worldrank
implicit none implicit none
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
@ -79,11 +77,9 @@ subroutine kinematics_hydrogen_strain_init(fileUnit)
tag = '', & tag = '', &
line = '' line = ''
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_hydrogen_strain_LABEL//' init -+>>>'
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_hydrogen_strain_LABEL//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
maxNinstance = int(count(phase_kinematics == KINEMATICS_hydrogen_strain_ID),pInt) maxNinstance = int(count(phase_kinematics == KINEMATICS_hydrogen_strain_ID),pInt)
if (maxNinstance == 0_pInt) return if (maxNinstance == 0_pInt) return

12
code/lattice.f90
View File

@ -577,26 +577,26 @@ module lattice
real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: & real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: &
LATTICE_hex_systemSlip = reshape(real([& LATTICE_hex_systemSlip = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
! Basal systems <11.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base)) ! Basal systems <11.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base))
2, -1, -1, 0, 0, 0, 0, 1, & 2, -1, -1, 0, 0, 0, 0, 1, &
-1, 2, -1, 0, 0, 0, 0, 1, & -1, 2, -1, 0, 0, 0, 0, 1, &
-1, -1, 2, 0, 0, 0, 0, 1, & -1, -1, 2, 0, 0, 0, 0, 1, &
! 1st type prismatic systems <11.0>{10.0} (independent of c/a-ratio) ! 1st type prismatic systems <11.0>{10.0} (independent of c/a-ratio)
2, -1, -1, 0, 0, 1, -1, 0, & 2, -1, -1, 0, 0, 1, -1, 0, &
-1, 2, -1, 0, -1, 0, 1, 0, & -1, 2, -1, 0, -1, 0, 1, 0, &
-1, -1, 2, 0, 1, -1, 0, 0, & -1, -1, 2, 0, 1, -1, 0, 0, &
! 2nd type prismatic systems <10.0>{11.0} -- a slip; plane normals independent of c/a-ratio ! 2nd type prismatic systems <10.0>{11.0} -- a slip; plane normals independent of c/a-ratio
0, 1, -1, 0, 2, -1, -1, 0, & 0, 1, -1, 0, 2, -1, -1, 0, &
-1, 0, 1, 0, -1, 2, -1, 0, & -1, 0, 1, 0, -1, 2, -1, 0, &
1, -1, 0, 0, -1, -1, 2, 0, & 1, -1, 0, 0, -1, -1, 2, 0, &
! 1st type 1st order pyramidal systems <11.0>{-11.1} -- plane normals depend on the c/a-ratio ! 1st type 1st order pyramidal systems <11.0>{-11.1} -- plane normals depend on the c/a-ratio
2, -1, -1, 0, 0, 1, -1, 1, & 2, -1, -1, 0, 0, 1, -1, 1, &
-1, 2, -1, 0, -1, 0, 1, 1, & -1, 2, -1, 0, -1, 0, 1, 1, &
-1, -1, 2, 0, 1, -1, 0, 1, & -1, -1, 2, 0, 1, -1, 0, 1, &
1, 1, -2, 0, -1, 1, 0, 1, & 1, 1, -2, 0, -1, 1, 0, 1, &
-2, 1, 1, 0, 0, -1, 1, 1, & -2, 1, 1, 0, 0, -1, 1, 1, &
1, -2, 1, 0, 1, 0, -1, 1, & 1, -2, 1, 0, 1, 0, -1, 1, &
! pyramidal system: c+a slip <11.3>{-10.1} -- plane normals depend on the c/a-ratio ! pyramidal system: c+a slip <11.3>{-10.1} -- plane normals depend on the c/a-ratio
2, -1, -1, 3, -1, 1, 0, 1, & 2, -1, -1, 3, -1, 1, 0, 1, &
1, -2, 1, 3, -1, 1, 0, 1, & 1, -2, 1, 3, -1, 1, 0, 1, &
-1, -1, 2, 3, 1, 0, -1, 1, & -1, -1, 2, 3, 1, 0, -1, 1, &
@ -609,7 +609,7 @@ module lattice
2, -1, -1, 3, -1, 0, 1, 1, & 2, -1, -1, 3, -1, 0, 1, 1, &
1, -2, 1, 3, 0, 1, -1, 1, & 1, -2, 1, 3, 0, 1, -1, 1, &
-1, -1, 2, 3, 0, 1, -1, 1, & -1, -1, 2, 3, 0, 1, -1, 1, &
! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below) ! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
2, -1, -1, 3, -2, 1, 1, 2, & ! sorted according to similar twin system 2, -1, -1, 3, -2, 1, 1, 2, & ! sorted according to similar twin system
-1, 2, -1, 3, 1, -2, 1, 2, & ! <11.3>{-1-1.2} shear = 2((c/a)^2-2)/(3 c/a) -1, 2, -1, 3, 1, -2, 1, 2, & ! <11.3>{-1-1.2} shear = 2((c/a)^2-2)/(3 c/a)
-1, -1, 2, 3, 1, 1, -2, 2, & -1, -1, 2, 3, 1, 1, -2, 2, &

4
code/mesh.f90
View File

@ -549,13 +549,13 @@ subroutine mesh_init(ip,el)
call IO_open_file(FILEUNIT,geometryFile) ! parse info from geometry file... call IO_open_file(FILEUNIT,geometryFile) ! parse info from geometry file...
if (myDebug) write(6,'(a)') ' Opened geometry file'; flush(6) if (myDebug) write(6,'(a)') ' Opened geometry file'; flush(6)
grid = mesh_spectral_getGrid(fileUnit) grid = mesh_spectral_getGrid(fileUnit)
call MPI_comm_size(MPI_COMM_WORLD, worldsize, ierr) call MPI_comm_size(PETSC_COMM_WORLD, worldsize, ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_comm_size') if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_comm_size')
if(worldsize>grid(3)) call IO_error(894_pInt, ext_msg='number of processes exceeds grid(3)') if(worldsize>grid(3)) call IO_error(894_pInt, ext_msg='number of processes exceeds grid(3)')
geomSize = mesh_spectral_getSize(fileUnit) geomSize = mesh_spectral_getSize(fileUnit)
devNull = fftw_mpi_local_size_3d(int(grid(3),C_INTPTR_T),int(grid(2),C_INTPTR_T),& devNull = fftw_mpi_local_size_3d(int(grid(3),C_INTPTR_T),int(grid(2),C_INTPTR_T),&
int(grid(1),C_INTPTR_T)/2+1,MPI_COMM_WORLD,local_K,local_K_offset) int(grid(1),C_INTPTR_T)/2+1,PETSC_COMM_WORLD,local_K,local_K_offset)
grid3 = int(local_K,pInt) grid3 = int(local_K,pInt)
grid3Offset = int(local_K_offset,pInt) grid3Offset = int(local_K_offset,pInt)
size3 = geomSize(3)*real(grid3,pReal) /real(grid(3),pReal) size3 = geomSize(3)*real(grid3,pReal) /real(grid(3),pReal)

2
code/numerics.f90
View File

@ -110,7 +110,7 @@ module numerics
fftw_plan_mode = 'FFTW_PATIENT' !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag fftw_plan_mode = 'FFTW_PATIENT' !< reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
character(len=64), protected, public :: & character(len=64), protected, public :: &
spectral_solver = 'basicpetsc' , & !< spectral solution method spectral_solver = 'basicpetsc' , & !< spectral solution method
spectral_derivative = 'continuous' !< spectral filtering method spectral_derivative = 'continuous' !< spectral spatial derivative method
character(len=1024), protected, public :: & character(len=1024), protected, public :: &
petsc_defaultOptions = '-mech_snes_type ngmres & petsc_defaultOptions = '-mech_snes_type ngmres &
&-damage_snes_type ngmres & &-damage_snes_type ngmres &

6
code/plastic_disloUCLA.f90
View File

@ -974,7 +974,7 @@ end subroutine plastic_disloUCLA_LpAndItsTangent
subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el) subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dEq dEq0
use math, only: & use math, only: &
pi pi
use material, only: & use material, only: &
@ -1112,7 +1112,7 @@ subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
!* Dipole formation !* Dipole formation
EdgeDipMinDistance = & EdgeDipMinDistance = &
plastic_disloUCLA_CEdgeDipMinDistance(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance) plastic_disloUCLA_CEdgeDipMinDistance(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance)
if (dEq(tau_slip_pos,0.0_pReal)) then if (dEq0(tau_slip_pos)) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
else else
EdgeDipDistance = & EdgeDipDistance = &
@ -1140,7 +1140,7 @@ subroutine plastic_disloUCLA_dotState(Tstar_v,Temperature,ipc,ip,el)
plastic_disloUCLA_CAtomicVolume(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance)**(3.0_pReal) plastic_disloUCLA_CAtomicVolume(instance)*plastic_disloUCLA_burgersPerSlipSystem(j,instance)**(3.0_pReal)
VacancyDiffusion = & VacancyDiffusion = &
plastic_disloUCLA_D0(instance)*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature)) plastic_disloUCLA_D0(instance)*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature))
if (dEq(tau_slip_pos,0.0_pReal)) then if (dEq0(tau_slip_pos)) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
ClimbVelocity = & ClimbVelocity = &

30
code/plastic_dislotwin.f90
View File

@ -200,7 +200,8 @@ contains
subroutine plastic_dislotwin_init(fileUnit) subroutine plastic_dislotwin_init(fileUnit)
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 prec, only: & use prec, only: &
dEq, & dEq0, &
dNeq0, &
dNeq dNeq
use debug, only: & use debug, only: &
debug_level,& debug_level,&
@ -748,8 +749,8 @@ subroutine plastic_dislotwin_init(fileUnit)
if (plastic_dislotwin_Qsd(instance) <= 0.0_pReal) & if (plastic_dislotwin_Qsd(instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')')
if (sum(plastic_dislotwin_Ntwin(:,instance)) > 0_pInt) then if (sum(plastic_dislotwin_Ntwin(:,instance)) > 0_pInt) then
if (dEq(plastic_dislotwin_SFE_0K(instance), 0.0_pReal) .and. & if (dEq0(plastic_dislotwin_SFE_0K(instance)) .and. &
dEq(plastic_dislotwin_dSFE_dT(instance),0.0_pReal) .and. & dEq0(plastic_dislotwin_dSFE_dT(instance)) .and. &
lattice_structure(phase) == LATTICE_fcc_ID) & lattice_structure(phase) == LATTICE_fcc_ID) &
call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
if (plastic_dislotwin_aTolRho(instance) <= 0.0_pReal) & if (plastic_dislotwin_aTolRho(instance) <= 0.0_pReal) &
@ -758,8 +759,8 @@ subroutine plastic_dislotwin_init(fileUnit)
call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')')
endif endif
if (sum(plastic_dislotwin_Ntrans(:,instance)) > 0_pInt) then if (sum(plastic_dislotwin_Ntrans(:,instance)) > 0_pInt) then
if (dEq(plastic_dislotwin_SFE_0K(instance), 0.0_pReal) .and. & if (dEq0(plastic_dislotwin_SFE_0K(instance)) .and. &
dEq(plastic_dislotwin_dSFE_dT(instance),0.0_pReal) .and. & dEq0(plastic_dislotwin_dSFE_dT(instance)) .and. &
lattice_structure(phase) == LATTICE_fcc_ID) & lattice_structure(phase) == LATTICE_fcc_ID) &
call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
if (plastic_dislotwin_aTolTransFrac(instance) <= 0.0_pReal) & if (plastic_dislotwin_aTolTransFrac(instance) <= 0.0_pReal) &
@ -772,7 +773,7 @@ subroutine plastic_dislotwin_init(fileUnit)
if (plastic_dislotwin_sbVelocity(instance) > 0.0_pReal .and. & if (plastic_dislotwin_sbVelocity(instance) > 0.0_pReal .and. &
plastic_dislotwin_pShearBand(instance) <= 0.0_pReal) & plastic_dislotwin_pShearBand(instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')')
if (dNeq(plastic_dislotwin_dipoleFormationFactor(instance), 0.0_pReal) .and. & if (dNeq0(plastic_dislotwin_dipoleFormationFactor(instance)) .and. &
dNeq(plastic_dislotwin_dipoleFormationFactor(instance), 1.0_pReal)) & dNeq(plastic_dislotwin_dipoleFormationFactor(instance), 1.0_pReal)) &
call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')')
if (plastic_dislotwin_sbVelocity(instance) > 0.0_pReal .and. & if (plastic_dislotwin_sbVelocity(instance) > 0.0_pReal .and. &
@ -1624,7 +1625,7 @@ end subroutine plastic_dislotwin_microstructure
subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature,ipc,ip,el) subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dNeq dNeq0
use math, only: & use math, only: &
math_Plain3333to99, & math_Plain3333to99, &
math_Mandel6to33, & math_Mandel6to33, &
@ -1771,8 +1772,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Shear banding (shearband) part ! Shear banding (shearband) part
if(dNeq(plastic_dislotwin_sbVelocity(instance), 0.0_pReal) .and. & if(dNeq0(plastic_dislotwin_sbVelocity(instance)) .and. dNeq0(plastic_dislotwin_sbResistance(instance))) then
dNeq(plastic_dislotwin_sbResistance(instance),0.0_pReal)) then
gdot_sb = 0.0_pReal gdot_sb = 0.0_pReal
dgdot_dtausb = 0.0_pReal dgdot_dtausb = 0.0_pReal
call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error)
@ -1939,7 +1939,7 @@ end subroutine plastic_dislotwin_LpAndItsTangent
subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dEq dEq0
use math, only: & use math, only: &
pi pi
use material, only: & use material, only: &
@ -2040,7 +2040,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
!* Dipole formation !* Dipole formation
EdgeDipMinDistance = & EdgeDipMinDistance = &
plastic_dislotwin_CEdgeDipMinDistance(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance) plastic_dislotwin_CEdgeDipMinDistance(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance)
if (dEq(tau_slip(j),0.0_pReal)) then if (dEq0(tau_slip(j))) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
else else
EdgeDipDistance = & EdgeDipDistance = &
@ -2068,10 +2068,10 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
plastic_dislotwin_CAtomicVolume(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance)**(3.0_pReal) plastic_dislotwin_CAtomicVolume(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance)**(3.0_pReal)
VacancyDiffusion = & VacancyDiffusion = &
plastic_dislotwin_D0(instance)*exp(-plastic_dislotwin_Qsd(instance)/(kB*Temperature)) plastic_dislotwin_D0(instance)*exp(-plastic_dislotwin_Qsd(instance)/(kB*Temperature))
if (dEq(tau_slip(j),0.0_pReal)) then if (dEq0(tau_slip(j))) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
if (dEq(EdgeDipDistance-EdgeDipMinDistance,0.0_pReal)) then if (dEq0(EdgeDipDistance-EdgeDipMinDistance)) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
ClimbVelocity = 3.0_pReal*lattice_mu(ph)*VacancyDiffusion*AtomicVolume/ & ClimbVelocity = 3.0_pReal*lattice_mu(ph)*VacancyDiffusion*AtomicVolume/ &
@ -2187,7 +2187,7 @@ end subroutine plastic_dislotwin_dotState
function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dEq dEq0
use math, only: & use math, only: &
pi, & pi, &
math_Mandel6to33, & math_Mandel6to33, &
@ -2503,7 +2503,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el)
!* Stress exponent !* Stress exponent
plastic_dislotwin_postResults(c+j) = & plastic_dislotwin_postResults(c+j) = &
merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq(gdot_slip(j),0.0_pReal)) merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j)))
enddo ; enddo enddo ; enddo
c = c + ns c = c + ns
case (sb_eigenvalues_ID) case (sb_eigenvalues_ID)

4
code/plastic_isotropic.f90
View File

@ -517,7 +517,7 @@ end subroutine plastic_isotropic_LiAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el) subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
use prec, only: & use prec, only: &
dEq dEq0
use math, only: & use math, only: &
math_mul6x6 math_mul6x6
use material, only: & use material, only: &
@ -564,7 +564,7 @@ subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hardening coefficient ! hardening coefficient
if (abs(gamma_dot) > 1e-12_pReal) then if (abs(gamma_dot) > 1e-12_pReal) then
if (dEq(param(instance)%tausat_SinhFitA,0.0_pReal)) then if (dEq0(param(instance)%tausat_SinhFitA)) then
saturation = param(instance)%tausat saturation = param(instance)%tausat
else else
saturation = ( param(instance)%tausat & saturation = ( param(instance)%tausat &

35
code/plastic_nonlocal.f90
View File

@ -1542,7 +1542,7 @@ end subroutine plastic_nonlocal_aTolState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_microstructure(Fe, Fp, ip, el) subroutine plastic_nonlocal_microstructure(Fe, Fp, ip, el)
use prec, only: & use prec, only: &
dEq dEq0
use IO, only: & use IO, only: &
IO_error IO_error
use math, only: & use math, only: &
@ -1786,7 +1786,7 @@ if (.not. phase_localPlasticity(ph) .and. shortRangeStressCorrection(instance))
- neighbor_rhoExcess(c,s,neighbors(2)) - neighbor_rhoExcess(c,s,neighbors(2))
enddo enddo
invConnections = math_inv33(connections) invConnections = math_inv33(connections)
if (all(dEq(invConnections,0.0_pReal))) & if (all(dEq0(invConnections))) &
call IO_error(-1_pInt,ext_msg='back stress calculation: inversion error') call IO_error(-1_pInt,ext_msg='back stress calculation: inversion error')
rhoExcessGradient(c) = math_mul3x3(m(1:3,s,c), & rhoExcessGradient(c) = math_mul3x3(m(1:3,s,c), &
math_mul33x3(invConnections,rhoExcessDifferences)) math_mul33x3(invConnections,rhoExcessDifferences))
@ -2195,7 +2195,7 @@ end subroutine plastic_nonlocal_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_deltaState(Tstar_v,ip,el) subroutine plastic_nonlocal_deltaState(Tstar_v,ip,el)
use prec, only: & use prec, only: &
dNeq dNeq0
use debug, only: debug_level, & use debug, only: debug_level, &
debug_constitutive, & debug_constitutive, &
debug_levelBasic, & debug_levelBasic, &
@ -2318,8 +2318,8 @@ dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) / (4.0_pReal * pi * abs
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
where(dNeq(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+& where(dNeq0(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+abs(rhoSgl(1:ns,2*c+3))&
abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)),0.0_pReal)) & +abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)))) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
+ abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), & + abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), &
dUpper(1:ns,c)) dUpper(1:ns,c))
@ -2331,7 +2331,7 @@ deltaDUpper = dUpper - dUpperOld
!*** dissociation by stress increase !*** dissociation by stress increase
deltaRhoDipole2SingleStress = 0.0_pReal deltaRhoDipole2SingleStress = 0.0_pReal
forall (c=1_pInt:2_pInt, s=1_pInt:ns, deltaDUpper(s,c) < 0.0_pReal .and. & forall (c=1_pInt:2_pInt, s=1_pInt:ns, deltaDUpper(s,c) < 0.0_pReal .and. &
dNeq(dUpperOld(s,c) - dLower(s,c),0.0_pReal)) & dNeq0(dUpperOld(s,c) - dLower(s,c))) &
deltaRhoDipole2SingleStress(s,8_pInt+c) = rhoDip(s,c) * deltaDUpper(s,c) & deltaRhoDipole2SingleStress(s,8_pInt+c) = rhoDip(s,c) * deltaDUpper(s,c) &
/ (dUpperOld(s,c) - dLower(s,c)) / (dUpperOld(s,c) - dLower(s,c))
@ -2379,8 +2379,9 @@ subroutine plastic_nonlocal_dotState(Tstar_v, Fe, Fp, Temperature, &
timestep,subfrac, ip,el) timestep,subfrac, ip,el)
use prec, only: DAMASK_NaN, & use prec, only: DAMASK_NaN, &
dNeq0, &
dNeq, & dNeq, &
dEq dEq0
use numerics, only: numerics_integrationMode, & use numerics, only: numerics_integrationMode, &
numerics_timeSyncing numerics_timeSyncing
use IO, only: IO_error use IO, only: IO_error
@ -2614,8 +2615,8 @@ dUpper(1:ns,1) = lattice_mu(ph) * burgers(1:ns,instance) &
dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) & dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) &
/ (4.0_pReal * pi * abs(tau)) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
where(dNeq(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+& where(dNeq0(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+abs(rhoSgl(1:ns,2*c+3))&
abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)),0.0_pReal)) & +abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)))) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
+ abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), & + abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), &
dUpper(1:ns,c)) dUpper(1:ns,c))
@ -2827,11 +2828,11 @@ if (.not. phase_localPlasticity(material_phase(1_pInt,ip,el))) then
my_rhoSgl = rhoSgl my_rhoSgl = rhoSgl
my_v = v my_v = v
if(numerics_timeSyncing) then if(numerics_timeSyncing) then
if (dEq(subfrac(1_pInt,ip,el),0.0_pReal)) then if (dEq0(subfrac(1_pInt,ip,el))) then
my_rhoSgl = rhoSgl0 my_rhoSgl = rhoSgl0
my_v = v0 my_v = v0
elseif (neighbor_n > 0_pInt) then elseif (neighbor_n > 0_pInt) then
if (dEq(subfrac(1_pInt,neighbor_ip,neighbor_el),0.0_pReal)) then if (dEq0(subfrac(1_pInt,neighbor_ip,neighbor_el))) then
my_rhoSgl = rhoSgl0 my_rhoSgl = rhoSgl0
my_v = v0 my_v = v0
endif endif
@ -3170,7 +3171,7 @@ end subroutine plastic_nonlocal_updateCompatibility
!********************************************************************* !*********************************************************************
function plastic_nonlocal_dislocationstress(Fe, ip, el) function plastic_nonlocal_dislocationstress(Fe, ip, el)
use prec, only: & use prec, only: &
dEq dEq0
use math, only: math_mul33x33, & use math, only: math_mul33x33, &
math_mul33x3, & math_mul33x3, &
math_inv33, & math_inv33, &
@ -3383,7 +3384,7 @@ if (.not. phase_localPlasticity(ph)) then
Rsquare = R * R Rsquare = R * R
Rcube = Rsquare * R Rcube = Rsquare * R
denominator = R * (R + flipSign * lambda) denominator = R * (R + flipSign * lambda)
if (dEq(denominator,0.0_pReal)) exit ipLoop if (dEq0(denominator)) exit ipLoop
sigma(1,1) = sigma(1,1) - real(side,pReal) & sigma(1,1) = sigma(1,1) - real(side,pReal) &
* flipSign * z / denominator & * flipSign * z / denominator &
@ -3428,7 +3429,7 @@ if (.not. phase_localPlasticity(ph)) then
Rsquare = R * R Rsquare = R * R
Rcube = Rsquare * R Rcube = Rsquare * R
denominator = R * (R + flipSign * lambda) denominator = R * (R + flipSign * lambda)
if (dEq(denominator,0.0_pReal)) exit ipLoop if (dEq0(denominator)) exit ipLoop
sigma(1,2) = sigma(1,2) - real(side,pReal) * flipSign * z & sigma(1,2) = sigma(1,2) - real(side,pReal) * flipSign * z &
* (1.0_pReal - lattice_nu(ph)) / denominator & * (1.0_pReal - lattice_nu(ph)) / denominator &
@ -3518,7 +3519,7 @@ end function plastic_nonlocal_dislocationstress
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_nonlocal_postResults(Tstar_v,Fe,ip,el) function plastic_nonlocal_postResults(Tstar_v,Fe,ip,el)
use prec, only: & use prec, only: &
dNeq dNeq0
use math, only: & use math, only: &
math_mul6x6, & math_mul6x6, &
math_mul33x3, & math_mul33x3, &
@ -3635,8 +3636,8 @@ dUpper(1:ns,1) = lattice_mu(ph) * burgers(1:ns,instance) &
dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) & dUpper(1:ns,2) = lattice_mu(ph) * burgers(1:ns,instance) &
/ (4.0_pReal * pi * abs(tau)) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) forall (c = 1_pInt:2_pInt)
where(dNeq(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+& where(dNeq0(sqrt(rhoSgl(1:ns,2*c-1)+rhoSgl(1:ns,2*c)+abs(rhoSgl(1:ns,2*c+3))&
abs(rhoSgl(1:ns,2*c+3))+abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)),0.0_pReal)) & +abs(rhoSgl(1:ns,2*c+4))+rhoDip(1:ns,c)))) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
+ abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), & + abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), &
dUpper(1:ns,c)) dUpper(1:ns,c))

13
code/plastic_phenoplus.f90
View File

@ -113,7 +113,7 @@ contains
subroutine plastic_phenoplus_init(fileUnit) subroutine plastic_phenoplus_init(fileUnit)
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 prec, only: & use prec, only: &
dEq dEq0
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive,& debug_constitutive,&
@ -479,8 +479,7 @@ subroutine plastic_phenoplus_init(fileUnit)
if (any(plastic_phenoplus_tausat_slip(:,instance) <= 0.0_pReal .and. & if (any(plastic_phenoplus_tausat_slip(:,instance) <= 0.0_pReal .and. &
plastic_phenoplus_Nslip(:,instance) > 0)) & plastic_phenoplus_Nslip(:,instance) > 0)) &
call IO_error(211_pInt,el=instance,ext_msg='tausat_slip ('//PLASTICITY_PHENOPLUS_label//')') call IO_error(211_pInt,el=instance,ext_msg='tausat_slip ('//PLASTICITY_PHENOPLUS_label//')')
if (any(dEq(plastic_phenoplus_a_slip(instance),0.0_pReal) .and. & if (any(dEq0(plastic_phenoplus_a_slip(instance)) .and. plastic_phenoplus_Nslip(:,instance) > 0)) &
plastic_phenoplus_Nslip(:,instance) > 0)) &
call IO_error(211_pInt,el=instance,ext_msg='a_slip ('//PLASTICITY_PHENOPLUS_label//')') call IO_error(211_pInt,el=instance,ext_msg='a_slip ('//PLASTICITY_PHENOPLUS_label//')')
if (any(plastic_phenoplus_tau0_twin(:,instance) < 0.0_pReal .and. & if (any(plastic_phenoplus_tau0_twin(:,instance) < 0.0_pReal .and. &
plastic_phenoplus_Ntwin(:,instance) > 0)) & plastic_phenoplus_Ntwin(:,instance) > 0)) &
@ -918,7 +917,7 @@ end subroutine plastic_phenoplus_microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el) subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
use prec, only: & use prec, only: &
dNeq dNeq0
use math, only: & use math, only: &
math_Plain3333to99, & math_Plain3333to99, &
math_Mandel6to33 math_Mandel6to33
@ -1034,7 +1033,7 @@ subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
(gdot_slip_pos+gdot_slip_neg)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph) (gdot_slip_pos+gdot_slip_neg)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
if (dNeq(gdot_slip_pos,0.0_pReal)) then if (dNeq0(gdot_slip_pos)) then
dgdot_dtauslip_pos = gdot_slip_pos*plastic_phenoplus_n_slip(instance)/tau_slip_pos dgdot_dtauslip_pos = gdot_slip_pos*plastic_phenoplus_n_slip(instance)/tau_slip_pos
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
@ -1042,7 +1041,7 @@ subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
nonSchmid_tensor(m,n,1) nonSchmid_tensor(m,n,1)
endif endif
if (dNeq(gdot_slip_neg,0.0_pReal)) then if (dNeq0(gdot_slip_neg)) then
dgdot_dtauslip_neg = gdot_slip_neg*plastic_phenoplus_n_slip(instance)/tau_slip_neg dgdot_dtauslip_neg = gdot_slip_neg*plastic_phenoplus_n_slip(instance)/tau_slip_neg
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
@ -1069,7 +1068,7 @@ subroutine plastic_phenoplus_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
Lp = Lp + gdot_twin*lattice_Stwin(1:3,1:3,index_myFamily+i,ph) Lp = Lp + gdot_twin*lattice_Stwin(1:3,1:3,index_myFamily+i,ph)
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
if (dNeq(gdot_twin,0.0_pReal)) then if (dNeq0(gdot_twin)) then
dgdot_dtautwin = gdot_twin*plastic_phenoplus_n_twin(instance)/tau_twin dgdot_dtautwin = gdot_twin*plastic_phenoplus_n_twin(instance)/tau_twin
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &

13
code/plastic_phenopowerlaw.f90
View File

@ -125,7 +125,7 @@ contains
subroutine plastic_phenopowerlaw_init(fileUnit) subroutine plastic_phenopowerlaw_init(fileUnit)
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 prec, only: & use prec, only: &
dEq dEq0
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive,& debug_constitutive,&
@ -485,8 +485,7 @@ subroutine plastic_phenopowerlaw_init(fileUnit)
if (any(plastic_phenopowerlaw_tausat_slip(:,instance) <= 0.0_pReal .and. & if (any(plastic_phenopowerlaw_tausat_slip(:,instance) <= 0.0_pReal .and. &
plastic_phenopowerlaw_Nslip(:,instance) > 0)) & plastic_phenopowerlaw_Nslip(:,instance) > 0)) &
call IO_error(211_pInt,el=instance,ext_msg='tausat_slip ('//PLASTICITY_PHENOPOWERLAW_label//')') call IO_error(211_pInt,el=instance,ext_msg='tausat_slip ('//PLASTICITY_PHENOPOWERLAW_label//')')
if (any(dEq(plastic_phenopowerlaw_a_slip(instance),0.0_pReal) .and. & if (any(dEq0(plastic_phenopowerlaw_a_slip(instance)) .and. plastic_phenopowerlaw_Nslip(:,instance) > 0)) &
plastic_phenopowerlaw_Nslip(:,instance) > 0)) &
call IO_error(211_pInt,el=instance,ext_msg='a_slip ('//PLASTICITY_PHENOPOWERLAW_label//')') call IO_error(211_pInt,el=instance,ext_msg='a_slip ('//PLASTICITY_PHENOPOWERLAW_label//')')
if (any(plastic_phenopowerlaw_tau0_twin(:,instance) < 0.0_pReal .and. & if (any(plastic_phenopowerlaw_tau0_twin(:,instance) < 0.0_pReal .and. &
plastic_phenopowerlaw_Ntwin(:,instance) > 0)) & plastic_phenopowerlaw_Ntwin(:,instance) > 0)) &
@ -769,7 +768,7 @@ end subroutine plastic_phenopowerlaw_aTolState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el) subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
use prec, only: & use prec, only: &
dNeq dNeq0
use math, only: & use math, only: &
math_Plain3333to99, & math_Plain3333to99, &
math_Mandel6to33 math_Mandel6to33
@ -859,7 +858,7 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,
(gdot_slip_pos+gdot_slip_neg)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph) (gdot_slip_pos+gdot_slip_neg)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
if (dNeq(gdot_slip_pos,0.0_pReal)) then if (dNeq0(gdot_slip_pos)) then
dgdot_dtauslip_pos = gdot_slip_pos*plastic_phenopowerlaw_n_slip(instance)/tau_slip_pos dgdot_dtauslip_pos = gdot_slip_pos*plastic_phenopowerlaw_n_slip(instance)/tau_slip_pos
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
@ -867,7 +866,7 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,
nonSchmid_tensor(m,n,1) nonSchmid_tensor(m,n,1)
endif endif
if (dNeq(gdot_slip_neg,0.0_pReal)) then if (dNeq0(gdot_slip_neg)) then
dgdot_dtauslip_neg = gdot_slip_neg*plastic_phenopowerlaw_n_slip(instance)/tau_slip_neg dgdot_dtauslip_neg = gdot_slip_neg*plastic_phenopowerlaw_n_slip(instance)/tau_slip_neg
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
@ -894,7 +893,7 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,
Lp = Lp + gdot_twin*lattice_Stwin(1:3,1:3,index_myFamily+i,ph) Lp = Lp + gdot_twin*lattice_Stwin(1:3,1:3,index_myFamily+i,ph)
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
if (dNeq(gdot_twin,0.0_pReal)) then if (dNeq0(gdot_twin)) then
dgdot_dtautwin = gdot_twin*plastic_phenopowerlaw_n_twin(instance)/tau_twin dgdot_dtautwin = gdot_twin*plastic_phenopowerlaw_n_twin(instance)/tau_twin
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &

10
code/porosity_none.f90
View File

@ -23,21 +23,17 @@ subroutine porosity_none_init()
use IO, only: & use IO, only: &
IO_timeStamp IO_timeStamp
use material use material
use numerics, only: &
worldrank
implicit none implicit none
integer(pInt) :: & integer(pInt) :: &
homog, & homog, &
NofMyHomog NofMyHomog
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- porosity_'//POROSITY_none_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- porosity_'//POROSITY_none_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
initializeInstances: do homog = 1_pInt, material_Nhomogenization initializeInstances: do homog = 1_pInt, material_Nhomogenization
myhomog: if (porosity_type(homog) == POROSITY_none_ID) then myhomog: if (porosity_type(homog) == POROSITY_none_ID) then
NofMyHomog = count(material_homog == homog) NofMyHomog = count(material_homog == homog)

29
code/prec.f90
View File

@ -20,12 +20,7 @@ module prec
private private
#if (FLOAT==8) #if (FLOAT==8)
integer, parameter, public :: pReal = 8 !< floating point double precision (was selected_real_kind(15,300), number with 15 significant digits, up to 1e+-300) integer, parameter, public :: pReal = 8 !< floating point double precision (was selected_real_kind(15,300), number with 15 significant digits, up to 1e+-300)
#ifdef __INTEL_COMPILER
real(pReal), parameter, public :: DAMASK_NaN = Z'7FF8000000000000' !< quiet NaN for double precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html)
#endif
#ifdef __GFORTRAN__
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF8000000000000',pReal) !< quiet NaN for double precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html) real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF8000000000000',pReal) !< quiet NaN for double precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html)
#endif
#else #else
NO SUITABLE PRECISION FOR REAL SELECTED, STOPPING COMPILATION NO SUITABLE PRECISION FOR REAL SELECTED, STOPPING COMPILATION
#endif #endif
@ -171,7 +166,7 @@ end function prec_isNaN
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief equality comparison for float with double precision !> @brief equality comparison for float with double precision
! replaces "==" but for certain (relative) tolerance. Counterpart to dNeq ! replaces "==" but for certain (relative) tolerance. Counterpart to dNeq
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm ! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dEq(a,b,tol) logical elemental pure function dEq(a,b,tol)
@ -187,7 +182,7 @@ end function dEq
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief inequality comparison for float with double precision !> @brief inequality comparison for float with double precision
! replaces "!=" but for certain (relative) tolerance. Counterpart to dEq ! replaces "!=" but for certain (relative) tolerance. Counterpart to dEq
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm ! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dNeq(a,b,tol) logical elemental pure function dNeq(a,b,tol)
@ -201,9 +196,9 @@ end function dNeq
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief equality to 0comparison for float with double precision !> @brief equality to 0 comparison for float with double precision
! replaces "==0" but for certain (relative) tolerance. Counterpart to dNeq0 ! replaces "==0" but for certain (absolute) tolerance. Counterpart to dNeq0
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm ! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dEq0(a,tol) logical elemental pure function dEq0(a,tol)
@ -212,14 +207,14 @@ logical elemental pure function dEq0(a,tol)
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
dEq0 = merge(.True., .False.,abs(a) <= merge(tol,eps,present(tol))*abs(a)) dEq0 = merge(.True., .False.,abs(a) <= merge(tol,eps,present(tol))*10.0_pReal)
end function dEq0 end function dEq0
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief inequality comparison to 0 for float with double precision !> @brief inequality to 0 comparison for float with double precision
! replaces "!=0" but for certain (relative) tolerance. Counterpart to dEq0 ! replaces "!=0" but for certain (absolute) tolerance. Counterpart to dEq0
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm ! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dNeq0(a,tol) logical elemental pure function dNeq0(a,tol)
@ -228,14 +223,14 @@ logical elemental pure function dNeq0(a,tol)
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
dNeq0 = merge(.False., .True.,abs(a) <= merge(tol,eps,present(tol))*abs(a)) dNeq0 = merge(.False., .True.,abs(a) <= merge(tol,eps,present(tol))*10.0_pReal)
end function dNeq0 end function dNeq0
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief equality comparison for complex with double precision !> @brief equality comparison for complex with double precision
! replaces "==" but for certain (relative) tolerance. Counterpart to cNeq ! replaces "==" but for certain (relative) tolerance. Counterpart to cNeq
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm ! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
! probably a component wise comparison would be more accurate than the comparsion of the absolute ! probably a component wise comparison would be more accurate than the comparsion of the absolute
! value ! value
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -253,7 +248,7 @@ end function cEq
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief inequality comparison for complex with double precision !> @brief inequality comparison for complex with double precision
! replaces "!=" but for certain (relative) tolerance. Counterpart to cEq ! replaces "!=" but for certain (relative) tolerance. Counterpart to cEq
! http://www.cygnus-software.com/papers/comparingfloats/comparingfloats.htm ! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
! probably a component wise comparison would be more accurate than the comparsion of the absolute ! probably a component wise comparison would be more accurate than the comparsion of the absolute
! value ! value
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

68
code/source_thermal_externalheat.f90
View File

@ -1,6 +1,7 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine for thermal source due to plastic dissipation !> @author Philip Eisenlohr, Michigan State University
!> @brief material subroutine for variable heat source
!> @details to be done !> @details to be done
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module source_thermal_externalheat module source_thermal_externalheat
@ -10,24 +11,24 @@ module source_thermal_externalheat
implicit none implicit none
private private
integer(pInt), dimension(:), allocatable, public, protected :: & integer(pInt), dimension(:), allocatable, public, protected :: &
source_thermal_externalheat_sizePostResults, & !< cumulative size of post results source_thermal_externalheat_sizePostResults, & !< cumulative size of post results
source_thermal_externalheat_offset, & !< which source is my current thermal dissipation mechanism? source_thermal_externalheat_offset, & !< which source is my current thermal dissipation mechanism?
source_thermal_externalheat_instance !< instance of thermal dissipation source mechanism source_thermal_externalheat_instance !< instance of thermal dissipation source mechanism
integer(pInt), dimension(:,:), allocatable, target, public :: & integer(pInt), dimension(:,:), allocatable, target, public :: &
source_thermal_externalheat_sizePostResult !< size of each post result output source_thermal_externalheat_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
source_thermal_externalheat_output !< name of each post result output source_thermal_externalheat_output !< name of each post result output
integer(pInt), dimension(:), allocatable, target, public :: & integer(pInt), dimension(:), allocatable, target, public :: &
source_thermal_externalheat_Noutput !< number of outputs per instance of this source source_thermal_externalheat_Noutput !< number of outputs per instance of this source
integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
source_thermal_externalheat_nIntervals source_thermal_externalheat_nIntervals
real(pReal), dimension(:,:), allocatable, private :: & real(pReal), dimension(:,:), allocatable, private :: &
source_thermal_externalheat_time, & source_thermal_externalheat_time, &
source_thermal_externalheat_rate source_thermal_externalheat_rate
@ -136,23 +137,26 @@ subroutine source_thermal_externalheat_init(fileUnit)
if (phase > 0_pInt ) then; if (any(phase_source(:,phase) == SOURCE_thermal_externalheat_ID)) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran if (phase > 0_pInt ) then; if (any(phase_source(:,phase) == SOURCE_thermal_externalheat_ID)) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
instance = source_thermal_externalheat_instance(phase) ! which instance of my source is present phase instance = source_thermal_externalheat_instance(phase) ! which instance of my source is present phase
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('externalheat_time') case ('externalheat_time','externalheat_rate')
if (chunkPos(1) <= 2_pInt) & if (chunkPos(1) <= 2_pInt) &
call IO_error(150_pInt,ext_msg=trim(tag)//' ('//SOURCE_thermal_externalheat_label//')') call IO_error(150_pInt,ext_msg=trim(tag)//' ('//SOURCE_thermal_externalheat_label//')')
if ( source_thermal_externalheat_nIntervals(instance) > 0_pInt &
.and. source_thermal_externalheat_nIntervals(instance) /= chunkPos(1) - 2_pInt) &
call IO_error(150_pInt,ext_msg=trim(tag)//' ('//SOURCE_thermal_externalheat_label//')')
source_thermal_externalheat_nIntervals(instance) = chunkPos(1) - 2_pInt source_thermal_externalheat_nIntervals(instance) = chunkPos(1) - 2_pInt
do interval = 1, source_thermal_externalheat_nIntervals(instance) + 1_pInt do interval = 1, source_thermal_externalheat_nIntervals(instance) + 1_pInt
temp_time(instance, interval) = IO_floatValue(line,chunkPos,1_pInt + interval) select case(tag)
case ('externalheat_time')
temp_time(instance, interval) = IO_floatValue(line,chunkPos,1_pInt + interval)
case ('externalheat_rate')
temp_rate(instance, interval) = IO_floatValue(line,chunkPos,1_pInt + interval)
end select
enddo enddo
case ('externalheat_rate')
do interval = 1, source_thermal_externalheat_nIntervals(instance) + 1_pInt
temp_rate(instance, interval) = IO_floatValue(line,chunkPos,1_pInt + interval)
enddo
end select end select
endif; endif endif; endif
enddo parsingFile enddo parsingFile
@ -162,13 +166,13 @@ subroutine source_thermal_externalheat_init(fileUnit)
initializeInstances: do phase = 1_pInt, material_Nphase initializeInstances: do phase = 1_pInt, material_Nphase
if (any(phase_source(:,phase) == SOURCE_thermal_externalheat_ID)) then if (any(phase_source(:,phase) == SOURCE_thermal_externalheat_ID)) then
NofMyPhase=count(material_phase==phase) NofMyPhase = count(material_phase==phase)
instance = source_thermal_externalheat_instance(phase) instance = source_thermal_externalheat_instance(phase)
sourceOffset = source_thermal_externalheat_offset(phase) sourceOffset = source_thermal_externalheat_offset(phase)
source_thermal_externalheat_time(instance,1:source_thermal_externalheat_nIntervals(instance)+1_pInt) = & source_thermal_externalheat_time(instance,1:source_thermal_externalheat_nIntervals(instance)+1_pInt) = &
temp_time(instance,1:source_thermal_externalheat_nIntervals(instance)+1_pInt) temp_time(instance,1:source_thermal_externalheat_nIntervals(instance)+1_pInt)
source_thermal_externalheat_rate(instance,1:source_thermal_externalheat_nIntervals(instance)+1_pInt) = & source_thermal_externalheat_rate(instance,1:source_thermal_externalheat_nIntervals(instance)+1_pInt) = &
temp_rate(instance,1:source_thermal_externalheat_nIntervals(instance)+1_pInt) temp_rate(instance,1:source_thermal_externalheat_nIntervals(instance)+1_pInt)
sizeDotState = 1_pInt sizeDotState = 1_pInt
sizeDeltaState = 0_pInt sizeDeltaState = 0_pInt
@ -200,7 +204,8 @@ subroutine source_thermal_externalheat_init(fileUnit)
end subroutine source_thermal_externalheat_init end subroutine source_thermal_externalheat_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state !> @brief rate of change of state
!> @details state only contains current time to linearly interpolate given heat powers
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_dotState(ipc, ip, el) subroutine source_thermal_externalheat_dotState(ipc, ip, el)
use material, only: & use material, only: &
@ -221,12 +226,12 @@ subroutine source_thermal_externalheat_dotState(ipc, ip, el)
constituent = phasememberAt(ipc,ip,el) constituent = phasememberAt(ipc,ip,el)
sourceOffset = source_thermal_externalheat_offset(phase) sourceOffset = source_thermal_externalheat_offset(phase)
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = 1.0_pReal sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = 1.0_pReal ! state is current time
end subroutine source_thermal_externalheat_dotState end subroutine source_thermal_externalheat_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns local vacancy generation rate !> @brief returns local heat generation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, ipc, ip, el) subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, ipc, ip, el)
use material, only: & use material, only: &
@ -244,21 +249,24 @@ subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, ipc,
integer(pInt) :: & integer(pInt) :: &
instance, phase, constituent, sourceOffset, interval instance, phase, constituent, sourceOffset, interval
real(pReal) :: & real(pReal) :: &
norm_time frac_time
phase = phaseAt(ipc,ip,el) phase = phaseAt(ipc,ip,el)
constituent = phasememberAt(ipc,ip,el) constituent = phasememberAt(ipc,ip,el)
instance = source_thermal_externalheat_instance(phase) instance = source_thermal_externalheat_instance(phase)
sourceOffset = source_thermal_externalheat_offset(phase) sourceOffset = source_thermal_externalheat_offset(phase)
do interval = 1, source_thermal_externalheat_nIntervals(instance) do interval = 1, source_thermal_externalheat_nIntervals(instance) ! scan through all rate segments
norm_time = (sourceState(phase)%p(sourceOffset)%state(1,constituent) - & frac_time = (sourceState(phase)%p(sourceOffset)%state(1,constituent) - &
source_thermal_externalheat_time(instance,interval)) / & source_thermal_externalheat_time(instance,interval)) / &
(source_thermal_externalheat_time(instance,interval+1) - & (source_thermal_externalheat_time(instance,interval+1) - &
source_thermal_externalheat_time(instance,interval)) source_thermal_externalheat_time(instance,interval)) ! fractional time within segment
if (norm_time >= 0.0_pReal .and. norm_time < 1.0_pReal) & if ( (frac_time < 0.0_pReal .and. interval == 1) &
TDot = source_thermal_externalheat_rate(instance,interval ) * (1.0_pReal - norm_time) + & .or. (frac_time >= 1.0_pReal .and. interval == source_thermal_externalheat_nIntervals(instance)) &
source_thermal_externalheat_rate(instance,interval+1) * norm_time .or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) &
TDot = source_thermal_externalheat_rate(instance,interval ) * (1.0_pReal - frac_time) + &
source_thermal_externalheat_rate(instance,interval+1) * frac_time ! interpolate heat rate between segment boundaries...
! ...or extrapolate if outside of bounds
enddo enddo
dTDot_dT = 0.0 dTDot_dT = 0.0

24
code/spectral_damage.f90
View File

@ -81,7 +81,6 @@ subroutine spectral_damage_init()
DM :: damage_grid DM :: damage_grid
Vec :: uBound, lBound Vec :: uBound, lBound
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscObject :: dummy
character(len=100) :: snes_type character(len=100) :: snes_type
external :: & external :: &
@ -99,11 +98,9 @@ subroutine spectral_damage_init()
DMRestoreGlobalVector, & DMRestoreGlobalVector, &
SNESVISetVariableBounds SNESVISetVariableBounds
mainProcess: if (worldrank == 0_pInt) then write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>'
write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
@ -124,7 +121,8 @@ subroutine spectral_damage_init()
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor) call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor)
call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,dummy,ierr) !< residual vector of same shape as solution vector call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,&
PETSC_NULL_OBJECT,ierr) !< residual vector of same shape as solution vector
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional cli arguments call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional cli arguments
call SNESGetType(damage_snes,snes_type,ierr); CHKERRQ(ierr) call SNESGetType(damage_snes,snes_type,ierr); CHKERRQ(ierr)
@ -171,7 +169,7 @@ end subroutine spectral_damage_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief solution for the spectral damage scheme with internal iterations !> @brief solution for the spectral damage scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function spectral_damage_solution(guess,timeinc,timeinc_old,loadCaseTime) type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadCaseTime)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
err_damage_tolAbs, & err_damage_tolAbs, &
@ -190,7 +188,6 @@ type(tSolutionState) function spectral_damage_solution(guess,timeinc,timeinc_old
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old, & !< increment in time of last increment
loadCaseTime !< remaining time of current load case loadCaseTime !< remaining time of current load case
logical, intent(in) :: guess
integer(pInt) :: i, j, k, cell integer(pInt) :: i, j, k, cell
PetscInt ::position PetscInt ::position
PetscReal :: minDamage, maxDamage, stagNorm, solnNorm PetscReal :: minDamage, maxDamage, stagNorm, solnNorm
@ -283,10 +280,10 @@ subroutine spectral_damage_formResidual(in,x_scal,f_scal,dummy,ierr)
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: & DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
in in
PetscScalar, dimension( & PetscScalar, dimension( &
XG_RANGE,YG_RANGE,ZG_RANGE) :: & XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
x_scal x_scal
PetscScalar, dimension( & PetscScalar, dimension( &
X_RANGE,Y_RANGE,Z_RANGE) :: & X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
f_scal f_scal
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
@ -341,7 +338,7 @@ end subroutine spectral_damage_formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief spectral damage forwarding routine !> @brief spectral damage forwarding routine
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine spectral_damage_forward(guess,timeinc,timeinc_old,loadCaseTime) subroutine spectral_damage_forward()
use mesh, only: & use mesh, only: &
grid, & grid, &
grid3 grid3
@ -354,11 +351,6 @@ subroutine spectral_damage_forward(guess,timeinc,timeinc_old,loadCaseTime)
damage_nonlocal_getMobility damage_nonlocal_getMobility
implicit none implicit none
real(pReal), intent(in) :: &
timeinc_old, &
timeinc, &
loadCaseTime !< remaining time of current load case
logical, intent(in) :: guess
integer(pInt) :: i, j, k, cell integer(pInt) :: i, j, k, cell
DM :: dm_local DM :: dm_local
PetscScalar, dimension(:,:,:), pointer :: x_scal PetscScalar, dimension(:,:,:), pointer :: x_scal

4
code/spectral_interface.f90
View File

@ -89,7 +89,7 @@ subroutine DAMASK_interface_init()
call PetscInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code call PetscInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code
CHKERRQ(ierr) ! this is a macro definition, it is case sensitive CHKERRQ(ierr) ! this is a macro definition, it is case sensitive
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr) call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
call MPI_Comm_size(MPI_COMM_WORLD, worldsize, ierr);CHKERRQ(ierr) call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
mainProcess: if (worldrank == 0) then mainProcess: if (worldrank == 0) then
if (output_unit /= 6) then if (output_unit /= 6) then
write(output_unit,'(a)') ' STDOUT != 6' write(output_unit,'(a)') ' STDOUT != 6'
@ -152,7 +152,7 @@ subroutine DAMASK_interface_init()
write(6,'(a)') ' Make sure the file "material.config" exists in the working' write(6,'(a)') ' Make sure the file "material.config" exists in the working'
write(6,'(a)') ' directory.' write(6,'(a)') ' directory.'
write(6,'(a)') ' For further configuration place "numerics.config"' write(6,'(a)') ' For further configuration place "numerics.config"'
write(6,'(a)')' and "numerics.config" in that directory.' write(6,'(a)')' and "debug.config" in that directory.'
write(6,'(/,a)')' --restart XX' write(6,'(/,a)')' --restart XX'
write(6,'(a)') ' Reads in total increment No. XX-1 and continues to' write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
write(6,'(a)') ' calculate total increment No. XX.' write(6,'(a)') ' calculate total increment No. XX.'

121
code/spectral_mech_AL.f90
View File

@ -49,7 +49,7 @@ module spectral_mech_AL
F_av = 0.0_pReal, & !< average incompatible def grad field F_av = 0.0_pReal, & !< average incompatible def grad field
P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress
P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general
character(len=1024), private :: incInfo !< time and increment information character(len=1024), private :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: & real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness C_volAvg = 0.0_pReal, & !< current volume average stiffness
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
@ -57,7 +57,7 @@ module spectral_mech_AL
S = 0.0_pReal, & !< current compliance (filled up with zeros) S = 0.0_pReal, & !< current compliance (filled up with zeros)
C_scale = 0.0_pReal, & C_scale = 0.0_pReal, &
S_scale = 0.0_pReal S_scale = 0.0_pReal
real(pReal), private :: & real(pReal), private :: &
err_BC, & !< deviation from stress BC err_BC, & !< deviation from stress BC
err_curl, & !< RMS of curl of F err_curl, & !< RMS of curl of F
@ -116,7 +116,6 @@ subroutine AL_init
temp33_Real = 0.0_pReal temp33_Real = 0.0_pReal
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscObject :: dummy
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
integer(pInt), dimension(:), allocatable :: localK integer(pInt), dimension(:), allocatable :: localK
integer(pInt) :: proc integer(pInt) :: proc
@ -133,11 +132,9 @@ subroutine AL_init
SNESSetConvergenceTest, & SNESSetConvergenceTest, &
SNESSetFromOptions SNESSetFromOptions
mainProcess: if (worldrank == 0_pInt) then write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate global fields ! allocate global fields
@ -165,9 +162,9 @@ subroutine AL_init
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,dummy,ierr) call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetConvergenceTest(snes,AL_converged,dummy,PETSC_NULL_FUNCTION,ierr) call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
@ -245,7 +242,7 @@ end subroutine AL_init
!> @brief solution for the AL scheme with internal iterations !> @brief solution for the AL scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function & type(tSolutionState) function &
AL_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,rotation_BC) AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
use IO, only: & use IO, only: &
IO_error IO_error
use numerics, only: & use numerics, only: &
@ -266,13 +263,9 @@ type(tSolutionState) function &
! input data for solution ! input data for solution
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old !< increment in time of last increment
loadCaseTime !< remaining time of current load case
logical, intent(in) :: &
guess
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
P_BC, & stress_BC
F_BC
character(len=*), intent(in) :: & character(len=*), intent(in) :: &
incInfoIn incInfoIn
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
@ -290,7 +283,7 @@ type(tSolutionState) function &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator) ! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C_volAvg) S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
if (update_gamma) then if (update_gamma) then
call Utilities_updateGamma(C_minMaxAvg,restartWrite) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
C_scale = C_minMaxAvg C_scale = C_minMaxAvg
@ -299,11 +292,11 @@ type(tSolutionState) function &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide availabe data ! set module wide availabe data
mask_stress = P_BC%maskFloat mask_stress = stress_BC%maskFloat
params%P_BC = P_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
params%timeinc = timeinc params%timeinc = timeinc
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
@ -331,8 +324,7 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
itmax, & itmax, &
itmin, & itmin, &
polarAlpha, & polarAlpha, &
polarBeta, & polarBeta
worldrank
use mesh, only: & use mesh, only: &
grid3, & grid3, &
grid grid
@ -369,10 +361,10 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
DMDA_LOCAL_INFO_SIZE) :: & DMDA_LOCAL_INFO_SIZE) :: &
in in
PetscScalar, target, dimension(3,3,2, & PetscScalar, target, dimension(3,3,2, &
XG_RANGE,YG_RANGE,ZG_RANGE) :: & XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
x_scal x_scal
PetscScalar, target, dimension(3,3,2, & PetscScalar, target, dimension(3,3,2, &
X_RANGE,Y_RANGE,Z_RANGE) :: & X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
f_scal f_scal
PetscScalar, pointer, dimension(:,:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, & F, &
@ -411,16 +403,14 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new iteration ! report begin of new iteration
totalIter = totalIter + 1_pInt totalIter = totalIter + 1_pInt
if (worldrank == 0_pInt) then write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), & ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', & math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC)) write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', & math_transpose33(F_aim)
math_transpose33(F_aim) flush(6)
flush(6)
endif
endif newIteration endif newIteration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -495,8 +485,7 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
err_curl_tolRel, & err_curl_tolRel, &
err_curl_tolAbs, & err_curl_tolAbs, &
err_stress_tolAbs, & err_stress_tolAbs, &
err_stress_tolRel, & err_stress_tolRel
worldrank
use math, only: & use math, only: &
math_mul3333xx33 math_mul3333xx33
use FEsolving, only: & use FEsolving, only: &
@ -519,9 +508,9 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + & err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + &
mask_stress *(P_av - params%P_BC))) ! mask = 0.0 for no bc mask_stress *(P_av - params%stress_BC))) ! mask = 0.0 for no bc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! error calculation ! error calculation
@ -543,24 +532,22 @@ subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report ! report
if (worldrank == 0_pInt) then write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(1/,a)') ' ... reporting .............................................................' write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', & err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')' write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & err_div/divTol, ' (',err_div, ' / m, tol =',divTol,')'
err_div/divTol, ' (',err_div, ' / m, tol =',divTol,')' write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', & err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')' write(6,'(/,a)') ' ==========================================================================='
write(6,'(/,a)') ' ===========================================================================' flush(6)
flush(6)
endif
end subroutine AL_converged end subroutine AL_converged
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief forwarding routine
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,rotation_BC) subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
use math, only: & use math, only: &
math_mul33x33, & math_mul33x33, &
math_mul3333xx33, & math_mul3333xx33, &
@ -588,8 +575,8 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,rotation_
timeinc, & timeinc, &
loadCaseTime !< remaining time of current load case loadCaseTime !< remaining time of current load case
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
P_BC, & stress_BC, &
F_BC deformation_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
logical, intent(in) :: & logical, intent(in) :: &
guess guess
@ -605,21 +592,19 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,rotation_
F => xx_psc(0:8,:,:,:) F => xx_psc(0:8,:,:,:)
F_lambda => xx_psc(9:17,:,:,:) F_lambda => xx_psc(9:17,:,:,:)
if (restartWrite) then if (restartWrite) then
if (worldrank == 0_pInt) then write(6,'(/,a)') ' writing converged results for restart'
write(6,'(/,a)') ' writing converged results for restart' flush(6)
flush(6)
endif
write(rankStr,'(a1,i0)')'_',worldrank write(rankStr,'(a1,i0)')'_',worldrank
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
write (777,rec=1) F write (777,rec=1) F
close (777) close (777)
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc write (777,rec=1) F_lastInc
close (777) close (777)
call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file
write (777,rec=1) F_lambda write (777,rec=1) F_lambda
close (777) close (777)
call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lambda_lastInc write (777,rec=1) F_lambda_lastInc
close (777) close (777)
if (worldrank == 0_pInt) then if (worldrank == 0_pInt) then
@ -653,14 +638,14 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,rotation_
C_volAvgLastInc = C_volAvg C_volAvgLastInc = C_volAvg
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate rate for aim ! calculate rate for aim
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim) f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim)
elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
f_aimDot = F_BC%maskFloat * F_BC%values f_aimDot = deformation_BC%maskFloat * deformation_BC%values
elseif(F_BC%myType=='f') then ! aim at end of load case is prescribed elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
f_aimDot = F_BC%maskFloat * (F_BC%values -F_aim)/loadCaseTime f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
endif endif
if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

110
code/spectral_mech_Basic.f90
View File

@ -105,7 +105,6 @@ subroutine basicPETSc_init
temp33_Real = 0.0_pReal temp33_Real = 0.0_pReal
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscObject :: dummy
PetscScalar, pointer, dimension(:,:,:,:) :: F PetscScalar, pointer, dimension(:,:,:,:) :: F
integer(pInt), dimension(:), allocatable :: localK integer(pInt), dimension(:), allocatable :: localK
@ -123,11 +122,9 @@ subroutine basicPETSc_init
SNESSetConvergenceTest, & SNESSetConvergenceTest, &
SNESSetFromOptions SNESSetFromOptions
mainProcess: if (worldrank == 0_pInt) then write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>'
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate global fields ! allocate global fields
@ -153,10 +150,10 @@ subroutine basicPETSc_init
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor) call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,dummy,ierr) ! residual vector of same shape as solution vector call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
call SNESSetConvergenceTest(snes,BasicPETSC_converged,dummy,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged" call SNESSetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
@ -165,7 +162,7 @@ subroutine basicPETSc_init
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
restart: if (restartInc > 1_pInt) then restart: if (restartInc > 1_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) & if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') & write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
'reading values of increment ', restartInc - 1_pInt, ' from file' 'reading values of increment ', restartInc - 1_pInt, ' from file'
flush(6) flush(6)
@ -220,7 +217,7 @@ end subroutine basicPETSc_init
!> @brief solution for the Basic PETSC scheme with internal iterations !> @brief solution for the Basic PETSC scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function & type(tSolutionState) function &
basicPETSc_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,rotation_BC) basicPETSc_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
use IO, only: & use IO, only: &
IO_error IO_error
use numerics, only: & use numerics, only: &
@ -239,13 +236,9 @@ type(tSolutionState) function &
! input data for solution ! input data for solution
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old !< increment in time of last increment
loadCaseTime !< remaining time of current load case
logical, intent(in) :: &
guess
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
P_BC, & stress_BC
F_BC
character(len=*), intent(in) :: & character(len=*), intent(in) :: &
incInfoIn incInfoIn
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
@ -263,17 +256,17 @@ type(tSolutionState) function &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator) ! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C_volAvg) S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite) if (update_gamma) call Utilities_updateGamma(C_minmaxAvg,restartWrite)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide availabe data ! set module wide availabe data
mask_stress = P_BC%maskFloat mask_stress = stress_BC%maskFloat
params%P_BC = P_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
params%timeinc = timeinc params%timeinc = timeinc
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
@ -301,8 +294,6 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin itmin
use numerics, only: &
worldrank
use mesh, only: & use mesh, only: &
grid, & grid, &
grid3 grid3
@ -331,10 +322,10 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: & DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
in in
PetscScalar, dimension(3,3, & PetscScalar, dimension(3,3, &
XG_RANGE,YG_RANGE,ZG_RANGE) :: & XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
x_scal x_scal
PetscScalar, dimension(3,3, & PetscScalar, dimension(3,3, &
X_RANGE,Y_RANGE,Z_RANGE) :: & X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
f_scal f_scal
PetscInt :: & PetscInt :: &
PETScIter, & PETScIter, &
@ -354,16 +345,14 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new iteration ! report begin of new iteration
totalIter = totalIter + 1_pInt totalIter = totalIter + 1_pInt
if (worldrank == 0_pInt) then write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), & ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', & math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC)) write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', & math_transpose33(F_aim)
math_transpose33(F_aim) flush(6)
flush(6)
endif
endif newIteration endif newIteration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -376,8 +365,8 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
F_aim_lastIter = F_aim F_aim_lastIter = F_aim
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
err_stress = maxval(abs(mask_stress * (P_av - params%P_BC))) ! mask = 0.0 for no bc err_stress = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 for no bc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! updated deformation gradient using fix point algorithm of basic scheme ! updated deformation gradient using fix point algorithm of basic scheme
@ -405,8 +394,7 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
err_div_tolRel, & err_div_tolRel, &
err_div_tolAbs, & err_div_tolAbs, &
err_stress_tolRel, & err_stress_tolRel, &
err_stress_tolAbs, & err_stress_tolAbs
worldrank
use FEsolving, only: & use FEsolving, only: &
terminallyIll terminallyIll
@ -440,22 +428,20 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report ! report
if (worldrank == 0_pInt) then write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(1/,a)') ' ... reporting .............................................................' write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & err_div/divTol, ' (',err_div,' / m, tol =',divTol,')'
err_div/divTol, ' (',err_div,' / m, tol =',divTol,')' write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', & err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')'
err_stress/stressTol, ' (',err_stress, ' Pa, tol =',stressTol,')' write(6,'(/,a)') ' ==========================================================================='
write(6,'(/,a)') ' ===========================================================================' flush(6)
flush(6)
endif
end subroutine BasicPETSc_converged end subroutine BasicPETSc_converged
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief forwarding routine
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,rotation_BC) subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
use math, only: & use math, only: &
math_mul33x33 ,& math_mul33x33 ,&
math_rotate_backward33 math_rotate_backward33
@ -481,8 +467,8 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r
timeinc, & timeinc, &
loadCaseTime !< remaining time of current load case loadCaseTime !< remaining time of current load case
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
P_BC, & stress_BC, &
F_BC deformation_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
logical, intent(in) :: & logical, intent(in) :: &
guess guess
@ -495,10 +481,8 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! restart information for spectral solver ! restart information for spectral solver
if (restartWrite) then if (restartWrite) then
if (worldrank == 0_pInt) then write(6,'(/,a)') ' writing converged results for restart'
write(6,'(/,a)') ' writing converged results for restart' flush(6)
flush(6)
endif
write(rankStr,'(a1,i0)')'_',worldrank write(rankStr,'(a1,i0)')'_',worldrank
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
write (777,rec=1) F write (777,rec=1) F
@ -530,14 +514,14 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r
C_volAvgLastInc = C_volAvg C_volAvgLastInc = C_volAvg
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate rate for aim ! calculate rate for aim
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim) f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim)
elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
f_aimDot = F_BC%maskFloat * F_BC%values f_aimDot = deformation_BC%maskFloat * deformation_BC%values
elseif(F_BC%myType=='f') then ! aim at end of load case is prescribed elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
f_aimDot = F_BC%maskFloat * (F_BC%values -F_aim)/loadCaseTime f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
endif endif
if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -552,8 +536,8 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,r
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update local deformation gradient ! update local deformation gradient
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! ensure that it matches rotated F_aim
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3]) math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
end subroutine BasicPETSc_forward end subroutine BasicPETSc_forward

117
code/spectral_mech_Polarisation.f90
View File

@ -116,7 +116,6 @@ subroutine Polarisation_init
temp33_Real = 0.0_pReal temp33_Real = 0.0_pReal
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscObject :: dummy
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
integer(pInt), dimension(:), allocatable :: localK integer(pInt), dimension(:), allocatable :: localK
integer(pInt) :: proc integer(pInt) :: proc
@ -133,11 +132,9 @@ subroutine Polarisation_init
SNESSetConvergenceTest, & SNESSetConvergenceTest, &
SNESSetFromOptions SNESSetFromOptions
mainProcess: if (worldrank == 0_pInt) then write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate global fields ! allocate global fields
@ -165,9 +162,9 @@ subroutine Polarisation_init
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,dummy,ierr) call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetConvergenceTest(snes,Polarisation_converged,dummy,PETSC_NULL_FUNCTION,ierr) call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
@ -177,7 +174,7 @@ subroutine Polarisation_init
F => xx_psc(0:8,:,:,:) F => xx_psc(0:8,:,:,:)
F_tau => xx_psc(9:17,:,:,:) F_tau => xx_psc(9:17,:,:,:)
restart: if (restartInc > 1_pInt) then restart: if (restartInc > 1_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) & if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') & write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
'reading values of increment ', restartInc - 1_pInt, ' from file' 'reading values of increment ', restartInc - 1_pInt, ' from file'
flush(6) flush(6)
@ -245,7 +242,7 @@ end subroutine Polarisation_init
!> @brief solution for the Polarisation scheme with internal iterations !> @brief solution for the Polarisation scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function & type(tSolutionState) function &
Polarisation_solution(incInfoIn,guess,timeinc,timeinc_old,loadCaseTime,P_BC,F_BC,rotation_BC) Polarisation_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
use IO, only: & use IO, only: &
IO_error IO_error
use numerics, only: & use numerics, only: &
@ -266,13 +263,9 @@ type(tSolutionState) function &
! input data for solution ! input data for solution
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old !< increment in time of last increment
loadCaseTime !< remaining time of current load case
logical, intent(in) :: &
guess
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
P_BC, & stress_BC
F_BC
character(len=*), intent(in) :: & character(len=*), intent(in) :: &
incInfoIn incInfoIn
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
@ -290,7 +283,7 @@ type(tSolutionState) function &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! update stiffness (and gamma operator) ! update stiffness (and gamma operator)
S = Utilities_maskedCompliance(rotation_BC,P_BC%maskLogical,C_volAvg) S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
if (update_gamma) then if (update_gamma) then
call Utilities_updateGamma(C_minMaxAvg,restartWrite) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
C_scale = C_minMaxAvg C_scale = C_minMaxAvg
@ -299,11 +292,11 @@ type(tSolutionState) function &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide availabe data ! set module wide availabe data
mask_stress = P_BC%maskFloat mask_stress = stress_BC%maskFloat
params%P_BC = P_BC%values params%stress_BC = stress_BC%values
params%rotation_BC = rotation_BC params%rotation_BC = rotation_BC
params%timeinc = timeinc params%timeinc = timeinc
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
@ -331,8 +324,7 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
itmax, & itmax, &
itmin, & itmin, &
polarAlpha, & polarAlpha, &
polarBeta, & polarBeta
worldrank
use mesh, only: & use mesh, only: &
grid3, & grid3, &
grid grid
@ -369,10 +361,10 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
DMDA_LOCAL_INFO_SIZE) :: & DMDA_LOCAL_INFO_SIZE) :: &
in in
PetscScalar, target, dimension(3,3,2, & PetscScalar, target, dimension(3,3,2, &
XG_RANGE,YG_RANGE,ZG_RANGE) :: & XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
x_scal x_scal
PetscScalar, target, dimension(3,3,2, & PetscScalar, target, dimension(3,3,2, &
X_RANGE,Y_RANGE,Z_RANGE) :: & X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
f_scal f_scal
PetscScalar, pointer, dimension(:,:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:,:) :: &
F, & F, &
@ -411,16 +403,14 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new iteration ! report begin of new iteration
totalIter = totalIter + 1_pInt totalIter = totalIter + 1_pInt
if (worldrank == 0_pInt) then write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), & ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', & math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC)) write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', & math_transpose33(F_aim)
math_transpose33(F_aim) flush(6)
flush(6)
endif
endif newIteration endif newIteration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -494,8 +484,7 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
err_curl_tolRel, & err_curl_tolRel, &
err_curl_tolAbs, & err_curl_tolAbs, &
err_stress_tolAbs, & err_stress_tolAbs, &
err_stress_tolRel, & err_stress_tolRel
worldrank
use math, only: & use math, only: &
math_mul3333xx33 math_mul3333xx33
use FEsolving, only: & use FEsolving, only: &
@ -518,9 +507,9 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! stress BC handling ! stress BC handling
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%P_BC))) ! S = 0.0 for no bc F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + & err_BC = maxval(abs((-mask_stress+1.0_pReal)*math_mul3333xx33(C_scale,F_aim-F_av) + &
mask_stress *(P_av - params%P_BC))) ! mask = 0.0 for no bc mask_stress *(P_av - params%stress_BC))) ! mask = 0.0 for no bc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! error calculation ! error calculation
@ -542,31 +531,29 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report ! report
if (worldrank == 0_pInt) then write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(1/,a)') ' ... reporting .............................................................' write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', & err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')'
err_curl/curlTol,' (',err_curl,' -, tol =',curlTol,')' write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & err_div/divTol, ' (',err_div, ' / m, tol =',divTol,')'
err_div/divTol, ' (',err_div, ' / m, tol =',divTol,')' write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
write(6,' (a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', & err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')'
err_BC/BC_tol, ' (',err_BC, ' Pa, tol =',BC_tol,')' write(6,'(/,a)') ' ==========================================================================='
write(6,'(/,a)') ' ===========================================================================' flush(6)
flush(6)
endif
end subroutine Polarisation_converged end subroutine Polarisation_converged
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief forwarding routine
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC,rotation_BC) subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
use math, only: & use math, only: &
math_mul33x33, & math_mul33x33, &
math_mul3333xx33, & math_mul3333xx33, &
math_transpose33, & math_transpose33, &
math_rotate_backward33 math_rotate_backward33
use numerics, only: & use numerics, only: &
worldrank worldrank
use mesh, only: & use mesh, only: &
grid3, & grid3, &
grid grid
@ -587,8 +574,8 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC
timeinc, & timeinc, &
loadCaseTime !< remaining time of current load case loadCaseTime !< remaining time of current load case
type(tBoundaryCondition), intent(in) :: & type(tBoundaryCondition), intent(in) :: &
P_BC, & stress_BC, &
F_BC deformation_BC
real(pReal), dimension(3,3), intent(in) :: rotation_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC
logical, intent(in) :: & logical, intent(in) :: &
guess guess
@ -604,19 +591,19 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC
F => xx_psc(0:8,:,:,:) F => xx_psc(0:8,:,:,:)
F_tau => xx_psc(9:17,:,:,:) F_tau => xx_psc(9:17,:,:,:)
if (restartWrite) then if (restartWrite) then
if (worldrank == 0_pInt) write(6,'(/,a)') ' writing converged results for restart' write(6,'(/,a)') ' writing converged results for restart'
flush(6) flush(6)
write(rankStr,'(a1,i0)')'_',worldrank write(rankStr,'(a1,i0)')'_',worldrank
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
write (777,rec=1) F write (777,rec=1) F
close (777) close (777)
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc write (777,rec=1) F_lastInc
close (777) close (777)
call IO_write_jobRealFile(777,'F_tau'//trim(rankStr),size(F_tau)) ! writing deformation gradient field to file call IO_write_jobRealFile(777,'F_tau'//trim(rankStr),size(F_tau)) ! writing deformation gradient field to file
write (777,rec=1) F_tau write (777,rec=1) F_tau
close (777) close (777)
call IO_write_jobRealFile(777,'F_tau_lastInc'//trim(rankStr),size(F_tau_lastInc)) ! writing F_lastInc field to file call IO_write_jobRealFile(777,'F_tau_lastInc'//trim(rankStr),size(F_tau_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_tau_lastInc write (777,rec=1) F_tau_lastInc
close (777) close (777)
if (worldrank == 0_pInt) then if (worldrank == 0_pInt) then
@ -650,14 +637,14 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,F_BC,P_BC
C_volAvgLastInc = C_volAvg C_volAvgLastInc = C_volAvg
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate rate for aim ! calculate rate for aim
if (F_BC%myType=='l') then ! calculate f_aimDot from given L and current F if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
f_aimDot = F_BC%maskFloat * math_mul33x33(F_BC%values, F_aim) f_aimDot = deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim)
elseif(F_BC%myType=='fdot') then ! f_aimDot is prescribed elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
f_aimDot = F_BC%maskFloat * F_BC%values f_aimDot = deformation_BC%maskFloat * deformation_BC%values
elseif(F_BC%myType=='f') then ! aim at end of load case is prescribed elseif(deformation_BC%myType=='f') then ! aim at end of load case is prescribed
f_aimDot = F_BC%maskFloat * (F_BC%values -F_aim)/loadCaseTime f_aimDot = deformation_BC%maskFloat * (deformation_BC%values -F_aim)/loadCaseTime
endif endif
if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old if (guess) f_aimDot = f_aimDot + stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

18
code/spectral_thermal.f90
View File

@ -86,7 +86,6 @@ subroutine spectral_thermal_init
DM :: thermal_grid DM :: thermal_grid
PetscScalar, dimension(:,:,:), pointer :: x_scal PetscScalar, dimension(:,:,:), pointer :: x_scal
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscObject :: dummy
external :: & external :: &
SNESCreate, & SNESCreate, &
@ -123,7 +122,8 @@ subroutine spectral_thermal_init
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor) call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,dummy,ierr) ! residual vector of same shape as solution vector call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
@ -170,7 +170,7 @@ end subroutine spectral_thermal_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief solution for the spectral thermal scheme with internal iterations !> @brief solution for the spectral thermal scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function spectral_thermal_solution(guess,timeinc,timeinc_old,loadCaseTime) type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,loadCaseTime)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
err_thermal_tolAbs, & err_thermal_tolAbs, &
@ -189,7 +189,6 @@ type(tSolutionState) function spectral_thermal_solution(guess,timeinc,timeinc_ol
timeinc, & !< increment in time for current solution timeinc, & !< increment in time for current solution
timeinc_old, & !< increment in time of last increment timeinc_old, & !< increment in time of last increment
loadCaseTime !< remaining time of current load case loadCaseTime !< remaining time of current load case
logical, intent(in) :: guess
integer(pInt) :: i, j, k, cell integer(pInt) :: i, j, k, cell
PetscInt :: position PetscInt :: position
PetscReal :: minTemperature, maxTemperature, stagNorm, solnNorm PetscReal :: minTemperature, maxTemperature, stagNorm, solnNorm
@ -283,10 +282,10 @@ subroutine spectral_thermal_formResidual(in,x_scal,f_scal,dummy,ierr)
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: & DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
in in
PetscScalar, dimension( & PetscScalar, dimension( &
XG_RANGE,YG_RANGE,ZG_RANGE) :: & XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
x_scal x_scal
PetscScalar, dimension( & PetscScalar, dimension( &
X_RANGE,Y_RANGE,Z_RANGE) :: & X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
f_scal f_scal
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
@ -337,7 +336,7 @@ end subroutine spectral_thermal_formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief forwarding routine
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine spectral_thermal_forward(guess,timeinc,timeinc_old,loadCaseTime) subroutine spectral_thermal_forward()
use mesh, only: & use mesh, only: &
grid, & grid, &
grid3 grid3
@ -351,11 +350,6 @@ subroutine spectral_thermal_forward(guess,timeinc,timeinc_old,loadCaseTime)
thermal_conduction_getSpecificHeat thermal_conduction_getSpecificHeat
implicit none implicit none
real(pReal), intent(in) :: &
timeinc_old, &
timeinc, &
loadCaseTime !< remaining time of current load case
logical, intent(in) :: guess
integer(pInt) :: i, j, k, cell integer(pInt) :: i, j, k, cell
DM :: dm_local DM :: dm_local
PetscScalar, dimension(:,:,:), pointer :: x_scal PetscScalar, dimension(:,:,:), pointer :: x_scal

56
code/spectral_utilities.f90
View File

@ -1,3 +1,4 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Utilities used by the different spectral solver variants !> @brief Utilities used by the different spectral solver variants
@ -84,7 +85,7 @@ module spectral_utilities
type, public :: tLoadCase type, public :: tLoadCase
real(pReal), dimension (3,3) :: rotation = math_I3 !< rotation of BC real(pReal), dimension (3,3) :: rotation = math_I3 !< rotation of BC
type(tBoundaryCondition) :: P, & !< stress BC type(tBoundaryCondition) :: stress, & !< stress BC
deformation !< deformation BC (Fdot or L) deformation !< deformation BC (Fdot or L)
real(pReal) :: time = 0.0_pReal !< length of increment real(pReal) :: time = 0.0_pReal !< length of increment
integer(pInt) :: incs = 0_pInt, & !< number of increments integer(pInt) :: incs = 0_pInt, & !< number of increments
@ -96,7 +97,7 @@ module spectral_utilities
end type tLoadCase end type tLoadCase
type, public :: tSolutionParams !< @todo use here the type definition for a full loadcase including mask type, public :: tSolutionParams !< @todo use here the type definition for a full loadcase including mask
real(pReal), dimension(3,3) :: P_BC, rotation_BC real(pReal), dimension(3,3) :: stress_BC, rotation_BC
real(pReal) :: timeinc real(pReal) :: timeinc
real(pReal) :: timeincOld real(pReal) :: timeincOld
real(pReal) :: density real(pReal) :: density
@ -227,9 +228,12 @@ subroutine utilities_init()
' add more using the PETSc_Options keyword in numerics.config '; flush(6) ' add more using the PETSc_Options keyword in numerics.config '; flush(6)
call PetscOptionsClear(ierr); CHKERRQ(ierr) call PetscOptionsClear(ierr); CHKERRQ(ierr)
if(debugPETSc) call PetscOptionsInsertString(trim(PETSCDEBUG),ierr); CHKERRQ(ierr) if(debugPETSc) call PetscOptionsInsertString(trim(PETSCDEBUG),ierr)
call PetscOptionsInsertString(trim(petsc_defaultOptions),ierr); CHKERRQ(ierr) CHKERRQ(ierr)
call PetscOptionsInsertString(trim(petsc_options),ierr); CHKERRQ(ierr) call PetscOptionsInsertString(trim(petsc_defaultOptions),ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(trim(petsc_options),ierr)
CHKERRQ(ierr)
grid1Red = grid(1)/2_pInt + 1_pInt grid1Red = grid(1)/2_pInt + 1_pInt
wgt = 1.0/real(product(grid),pReal) wgt = 1.0/real(product(grid),pReal)
@ -238,11 +242,11 @@ subroutine utilities_init()
write(6,'(a,3(es12.5))') ' size x y z: ', geomSize write(6,'(a,3(es12.5))') ' size x y z: ', geomSize
select case (spectral_derivative) select case (spectral_derivative)
case ('continuous') ! default, no weighting case ('continuous')
spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID
case ('central_difference') ! cosine curve with 1 for avg and zero for highest freq case ('central_difference')
spectral_derivative_ID = DERIVATIVE_CENTRAL_DIFF_ID spectral_derivative_ID = DERIVATIVE_CENTRAL_DIFF_ID
case ('fwbw_difference') ! gradient, might need grid scaling as for cosine filter case ('fwbw_difference')
spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID
case default case default
call IO_error(892_pInt,ext_msg=trim(spectral_derivative)) call IO_error(892_pInt,ext_msg=trim(spectral_derivative))
@ -271,9 +275,9 @@ subroutine utilities_init()
! MPI allocation ! MPI allocation
gridFFTW = int(grid,C_INTPTR_T) gridFFTW = int(grid,C_INTPTR_T)
alloc_local = fftw_mpi_local_size_3d(gridFFTW(3), gridFFTW(2), gridFFTW(1)/2 +1, & alloc_local = fftw_mpi_local_size_3d(gridFFTW(3), gridFFTW(2), gridFFTW(1)/2 +1, &
MPI_COMM_WORLD, local_K, local_K_offset) PETSC_COMM_WORLD, local_K, local_K_offset)
allocate (xi1st (3,grid1Red,grid(2),grid3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies, only half the size for first dimension allocate (xi1st (3,grid1Red,grid(2),grid3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for first derivatives, only half the size for first dimension
allocate (xi2nd (3,grid1Red,grid(2),grid3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies, only half the size for first dimension allocate (xi2nd (3,grid1Red,grid(2),grid3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for second derivatives, only half the size for first dimension
tensorField = fftw_alloc_complex(tensorSize*alloc_local) tensorField = fftw_alloc_complex(tensorSize*alloc_local)
call c_f_pointer(tensorField, tensorField_real, [3_C_INTPTR_T,3_C_INTPTR_T, & call c_f_pointer(tensorField, tensorField_real, [3_C_INTPTR_T,3_C_INTPTR_T, &
@ -298,12 +302,12 @@ subroutine utilities_init()
planTensorForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order planTensorForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
tensorSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock tensorSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock
tensorField_real, tensorField_fourier, & ! input data, output data tensorField_real, tensorField_fourier, & ! input data, output data
MPI_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision PETSC_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision
if (.not. C_ASSOCIATED(planTensorForth)) call IO_error(810, ext_msg='planTensorForth') if (.not. C_ASSOCIATED(planTensorForth)) call IO_error(810, ext_msg='planTensorForth')
planTensorBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order planTensorBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
tensorSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock tensorSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock
tensorField_fourier,tensorField_real, & ! input data, output data tensorField_fourier,tensorField_real, & ! input data, output data
MPI_COMM_WORLD, fftw_planner_flag) ! all processors, planer precision PETSC_COMM_WORLD, fftw_planner_flag) ! all processors, planer precision
if (.not. C_ASSOCIATED(planTensorBack)) call IO_error(810, ext_msg='planTensorBack') if (.not. C_ASSOCIATED(planTensorBack)) call IO_error(810, ext_msg='planTensorBack')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -311,12 +315,12 @@ subroutine utilities_init()
planVectorForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order planVectorForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
vecSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock vecSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &! no. of transforms, default iblock and oblock
vectorField_real, vectorField_fourier, & ! input data, output data vectorField_real, vectorField_fourier, & ! input data, output data
MPI_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision PETSC_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision
if (.not. C_ASSOCIATED(planVectorForth)) call IO_error(810, ext_msg='planVectorForth') if (.not. C_ASSOCIATED(planVectorForth)) call IO_error(810, ext_msg='planVectorForth')
planVectorBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order planVectorBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
vecSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock vecSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock
vectorField_fourier,vectorField_real, & ! input data, output data vectorField_fourier,vectorField_real, & ! input data, output data
MPI_COMM_WORLD, fftw_planner_flag) ! all processors, planer precision PETSC_COMM_WORLD, fftw_planner_flag) ! all processors, planer precision
if (.not. C_ASSOCIATED(planVectorBack)) call IO_error(810, ext_msg='planVectorBack') if (.not. C_ASSOCIATED(planVectorBack)) call IO_error(810, ext_msg='planVectorBack')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -324,12 +328,12 @@ subroutine utilities_init()
planScalarForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order planScalarForth = fftw_mpi_plan_many_dft_r2c(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order
scalarSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock scalarSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock
scalarField_real, scalarField_fourier, & ! input data, output data scalarField_real, scalarField_fourier, & ! input data, output data
MPI_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision PETSC_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision
if (.not. C_ASSOCIATED(planScalarForth)) call IO_error(810, ext_msg='planScalarForth') if (.not. C_ASSOCIATED(planScalarForth)) call IO_error(810, ext_msg='planScalarForth')
planScalarBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order, no. of transforms planScalarBack = fftw_mpi_plan_many_dft_c2r(3, [gridFFTW(3),gridFFTW(2),gridFFTW(1)], & ! dimension, logical length in each dimension in reversed order, no. of transforms
scalarSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock scalarSize, FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, & ! no. of transforms, default iblock and oblock
scalarField_fourier,scalarField_real, & ! input data, output data scalarField_fourier,scalarField_real, & ! input data, output data
MPI_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision PETSC_COMM_WORLD, fftw_planner_flag) ! use all processors, planer precision
if (.not. C_ASSOCIATED(planScalarBack)) call IO_error(810, ext_msg='planScalarBack') if (.not. C_ASSOCIATED(planScalarBack)) call IO_error(810, ext_msg='planScalarBack')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -699,8 +703,8 @@ real(pReal) function utilities_curlRMS()
curl_fourier(l,3) = (+tensorField_fourier(l,2,i,j,k)*xi1st(1,i,j,k)*rescaledGeom(1) & curl_fourier(l,3) = (+tensorField_fourier(l,2,i,j,k)*xi1st(1,i,j,k)*rescaledGeom(1) &
-tensorField_fourier(l,1,i,j,k)*xi1st(2,i,j,k)*rescaledGeom(2)) -tensorField_fourier(l,1,i,j,k)*xi1st(2,i,j,k)*rescaledGeom(2))
enddo enddo
utilities_curlRMS = utilities_curlRMS + & utilities_curlRMS = utilities_curlRMS &
2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)! Has somewhere a conj. complex counterpart. Therefore count it twice. +2.0_pReal*sum(real(curl_fourier)**2.0_pReal+aimag(curl_fourier)**2.0_pReal) ! Has somewhere a conj. complex counterpart. Therefore count it twice.
enddo enddo
do l = 1_pInt, 3_pInt do l = 1_pInt, 3_pInt
curl_fourier = (+tensorField_fourier(l,3,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2) & curl_fourier = (+tensorField_fourier(l,3,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2) &
@ -710,8 +714,8 @@ real(pReal) function utilities_curlRMS()
curl_fourier = (+tensorField_fourier(l,2,1,j,k)*xi1st(1,1,j,k)*rescaledGeom(1) & curl_fourier = (+tensorField_fourier(l,2,1,j,k)*xi1st(1,1,j,k)*rescaledGeom(1) &
-tensorField_fourier(l,1,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2)) -tensorField_fourier(l,1,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2))
enddo enddo
utilities_curlRMS = utilities_curlRMS + & utilities_curlRMS = utilities_curlRMS &
sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)! this layer (DC) does not have a conjugate complex counterpart (if grid(1) /= 1) + sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal) ! this layer (DC) does not have a conjugate complex counterpart (if grid(1) /= 1)
do l = 1_pInt, 3_pInt do l = 1_pInt, 3_pInt
curl_fourier = (+tensorField_fourier(l,3,grid1Red,j,k)*xi1st(2,grid1Red,j,k)*rescaledGeom(2) & curl_fourier = (+tensorField_fourier(l,3,grid1Red,j,k)*xi1st(2,grid1Red,j,k)*rescaledGeom(2) &
-tensorField_fourier(l,2,grid1Red,j,k)*xi1st(3,grid1Red,j,k)*rescaledGeom(3)) -tensorField_fourier(l,2,grid1Red,j,k)*xi1st(3,grid1Red,j,k)*rescaledGeom(3))
@ -720,14 +724,14 @@ real(pReal) function utilities_curlRMS()
curl_fourier = (+tensorField_fourier(l,2,grid1Red,j,k)*xi1st(1,grid1Red,j,k)*rescaledGeom(1) & curl_fourier = (+tensorField_fourier(l,2,grid1Red,j,k)*xi1st(1,grid1Red,j,k)*rescaledGeom(1) &
-tensorField_fourier(l,1,grid1Red,j,k)*xi1st(2,grid1Red,j,k)*rescaledGeom(2)) -tensorField_fourier(l,1,grid1Red,j,k)*xi1st(2,grid1Red,j,k)*rescaledGeom(2))
enddo enddo
utilities_curlRMS = utilities_curlRMS + & utilities_curlRMS = utilities_curlRMS &
sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)! this layer (Nyquist) does not have a conjugate complex counterpart (if grid(1) /= 1) + sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal) ! this layer (Nyquist) does not have a conjugate complex counterpart (if grid(1) /= 1)
enddo; enddo enddo; enddo
call MPI_Allreduce(MPI_IN_PLACE,utilities_curlRMS,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,utilities_curlRMS,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='utilities_curlRMS') if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='utilities_curlRMS')
utilities_curlRMS = sqrt(utilities_curlRMS) * wgt utilities_curlRMS = sqrt(utilities_curlRMS) * wgt
if(grid(1) == 1_pInt) utilities_curlRMS = utilities_curlRMS * 0.5_pReal ! counted twice in case of grid(1) == 1 if(grid(1) == 1_pInt) utilities_curlRMS = utilities_curlRMS * 0.5_pReal ! counted twice in case of grid(1) == 1
end function utilities_curlRMS end function utilities_curlRMS

8
code/thermal_adiabatic.f90
View File

@ -74,8 +74,6 @@ subroutine thermal_adiabatic_init(fileUnit)
temperature, & temperature, &
temperatureRate, & temperatureRate, &
material_partHomogenization material_partHomogenization
use numerics,only: &
worldrank
implicit none implicit none
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
@ -88,11 +86,9 @@ subroutine thermal_adiabatic_init(fileUnit)
tag = '', & tag = '', &
line = '' line = ''
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_ADIABATIC_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_ADIABATIC_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
maxNinstance = int(count(thermal_type == THERMAL_adiabatic_ID),pInt) maxNinstance = int(count(thermal_type == THERMAL_adiabatic_ID),pInt)
if (maxNinstance == 0_pInt) return if (maxNinstance == 0_pInt) return

8
code/thermal_conduction.f90
View File

@ -75,8 +75,6 @@ subroutine thermal_conduction_init(fileUnit)
temperature, & temperature, &
temperatureRate, & temperatureRate, &
material_partHomogenization material_partHomogenization
use numerics,only: &
worldrank
implicit none implicit none
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
@ -89,11 +87,9 @@ subroutine thermal_conduction_init(fileUnit)
tag = '', & tag = '', &
line = '' line = ''
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_CONDUCTION_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_CONDUCTION_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
maxNinstance = int(count(thermal_type == THERMAL_conduction_ID),pInt) maxNinstance = int(count(thermal_type == THERMAL_conduction_ID),pInt)
if (maxNinstance == 0_pInt) return if (maxNinstance == 0_pInt) return

10
code/thermal_isothermal.f90
View File

@ -23,8 +23,6 @@ subroutine thermal_isothermal_init()
use IO, only: & use IO, only: &
IO_timeStamp IO_timeStamp
use material use material
use numerics, only: &
worldrank
implicit none implicit none
integer(pInt) :: & integer(pInt) :: &
@ -32,13 +30,11 @@ subroutine thermal_isothermal_init()
NofMyHomog, & NofMyHomog, &
sizeState sizeState
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_isothermal_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_isothermal_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
initializeInstances: do homog = 1_pInt, material_Nhomogenization initializeInstances: do homog = 1_pInt, material_Nhomogenization
myhomog: if (thermal_type(homog) == THERMAL_isothermal_ID) then myhomog: if (thermal_type(homog) == THERMAL_isothermal_ID) then
NofMyHomog = count(material_homog == homog) NofMyHomog = count(material_homog == homog)

8
code/vacancyflux_cahnhilliard.f90
View File

@ -90,8 +90,6 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
vacancyflux_initialCv, & vacancyflux_initialCv, &
material_partHomogenization, & material_partHomogenization, &
material_partPhase material_partPhase
use numerics,only: &
worldrank
implicit none implicit none
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
@ -104,11 +102,9 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
tag = '', & tag = '', &
line = '' line = ''
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- vacancyflux_'//VACANCYFLUX_cahnhilliard_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- vacancyflux_'//VACANCYFLUX_cahnhilliard_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
maxNinstance = int(count(vacancyflux_type == VACANCYFLUX_cahnhilliard_ID),pInt) maxNinstance = int(count(vacancyflux_type == VACANCYFLUX_cahnhilliard_ID),pInt)
if (maxNinstance == 0_pInt) return if (maxNinstance == 0_pInt) return

8
code/vacancyflux_isochempot.f90
View File

@ -72,8 +72,6 @@ subroutine vacancyflux_isochempot_init(fileUnit)
vacancyConcRate, & vacancyConcRate, &
vacancyflux_initialCv, & vacancyflux_initialCv, &
material_partHomogenization material_partHomogenization
use numerics,only: &
worldrank
implicit none implicit none
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
@ -86,11 +84,9 @@ subroutine vacancyflux_isochempot_init(fileUnit)
tag = '', & tag = '', &
line = '' line = ''
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- vacancyflux_'//VACANCYFLUX_isochempot_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- vacancyflux_'//VACANCYFLUX_isochempot_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
maxNinstance = int(count(vacancyflux_type == VACANCYFLUX_isochempot_ID),pInt) maxNinstance = int(count(vacancyflux_type == VACANCYFLUX_isochempot_ID),pInt)
if (maxNinstance == 0_pInt) return if (maxNinstance == 0_pInt) return

10
code/vacancyflux_isoconc.f90
View File

@ -23,21 +23,17 @@ subroutine vacancyflux_isoconc_init()
use IO, only: & use IO, only: &
IO_timeStamp IO_timeStamp
use material use material
use numerics, only: &
worldrank
implicit none implicit none
integer(pInt) :: & integer(pInt) :: &
homog, & homog, &
NofMyHomog NofMyHomog
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- vacancyflux_'//VACANCYFLUX_isoconc_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- vacancyflux_'//VACANCYFLUX_isoconc_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
initializeInstances: do homog = 1_pInt, material_Nhomogenization initializeInstances: do homog = 1_pInt, material_Nhomogenization
myhomog: if (vacancyflux_type(homog) == VACANCYFLUX_isoconc_ID) then myhomog: if (vacancyflux_type(homog) == VACANCYFLUX_isoconc_ID) then
NofMyHomog = count(material_homog == homog) NofMyHomog = count(material_homog == homog)

52
installation/mods_MarcMentat/2011/Marc_tools/comp_damask_lmp
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTLOWMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

704
installation/mods_MarcMentat/2011/Marc_tools/include_linux64
View File

@ -1,704 +0,0 @@
#
# General definitions for the Marc 2011 version
#
# EM64T
# ( LP64 - i4 version)
# (ILP64 - i8 version)
#
# Linux RedHat 5.4
#
# 64 bit MPI version
#
# Intel(R) Fortran Compiler
# Version 12.0.4
#
# Intel(R) C Compiler
# Version 12.0.4
#
# DATE
#
# To check the O/S level, type:
# uname -a
#
# Distributed parallel MPI libraries:
# 1) HP MPI 2.3
# To check the mpi version, type:
# mpirun -version
# 2) Intel MPI 4.0.1.007
# To check the mpi version, type:
# mpirun -version
#
# MKL Libraries:
# Intel(R) MKL 10.3.0.084
#
# To check the Compiler level, type using the compiler
# installation path:
# ifort -V
# icc -V
#
# REMARKS : This file contains the definitions of variables used during
# compilation loading and use of the MARC programmes . The
# current machine type is identified by means of the variable
# MACHINE , defined below.
#
#
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
# DIRJOB : directory in which spawned jobs should look for Marc input
# MPI_ARCH: system architecture
# MPI_EPATH: path where executable resides
#
REVISION="VERSION, BUILD"
HOSTNAME=`hostname`
# find available memory in Mbyte on the machine
# can be set explicitly
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
# set _OEM_NASTRAN to 1 for MD Nastran build
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
# uncomment the following line for an autoforge build
#AUTOFORGE=1
AUTOFORGE=0
export AUTOFORGE
# integer size
if test "$MARC_INTEGER_SIZE" = "" ; then
INTEGER_PATH=
else
INTEGER_PATH=/$MARC_INTEGER_SIZE
fi
FCOMP=ifort
#
# settings for Metis
#
METIS="-I$METIS_SOURCE"
METISLIBS="$MARC_LIB/metis.a "
#
# settings for MPI
#
# RCP and RSH are used for parallel network runs
# replace with similar commands like rsh if needed
RCP=/usr/bin/scp
RSH=/usr/bin/ssh
#
# select MPITYPE based upon what is installed
MPITYPE=none
if test -d $MARC_INTELMPI
then
MPITYPE=intelmpi
fi
if test -d $MARC_HPMPI
then
MPITYPE=hpmpi
fi
if test $AUTOFORGE
then
if test $AUTOFORGE = 1
then
MPITYPE=none
fi
fi
# uncomment one of the definitions of MPITYPE below to
# explicitly choose the type of MPI to use
#MPITYPE=none
#MPITYPE=hpmpi
#MPITYPE=intelmpi
MPI_DEFAULT=hpmpi
MPI_OTHER=intelmpi
INTELMPI_VERSION=HYDRA
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
if test $MARC_MPITYPE
then
MPITYPE=$MARC_MPITYPE
fi
# always set MPITYPE to none for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
MPITYPE=none
fi
#
# settings for MPI
#
DDM=
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
FCOMPMPI=mpif90
export MPI_ROOT=$MARC_HPMPI
export MPI_REMSH=$RSH
export MPI_F77=$FCOMP
ARCHITECTURE=linux_amd64
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
MPI_CLEAN=
export MPI_EPATH=$MARC_BIN
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
export MPIHPSPECIAL="-e MPI_FLAGS=E,T"
export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
if test -n "$MSC_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
fi
if test -n "$LM_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
fi
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
RUN_JOB0=
fi
if test $MPITYPE = intelmpi
then
FCOMPMPI=mpiifort
MPI_ROOT=$MARC_INTELMPI
DDM="-I${MPI_ROOT}/include64 -DDDM"
PATH=$MPI_ROOT/bin64:$PATH
export PATH
LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
if test $INTELMPI_VERSION = HYDRA
then
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra "
else
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
fi
RUN_JOB0=
MPI_CLEAN=
MPI_EPATH=$MARC_BIN
MPIR_HOME=$MPI_ROOT
MPICH_F77=$FCOMP
MPICH_F77LINKER=$FCOMP
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
I_MPI_PIN_DOMAIN=node
export I_MPI_PIN_DOMAIN
fi
else
MPI_ROOT=$MARC_DUMMYMPI
export MPI_ROOT=$MARC_DUMMYMPI
DDM="-I$MPI_ROOT/include"
fi
#
# variables for the "maintain" script
#
MACHINENAME=LINUX
MACHINE64BIT=yes
MACHINE=Linux_EM64T
DEV=/dev/tape
GETLOG="whoami"
CLEAR="clear"
MY_UNAME=`uname -a`
# Edit following 2 lines to build with VKI Solver
#VKISOLVER=VKI
VKISOLVER=NONE
# Edit following 2 lines to build with CASI Solver
CASISOLVER=CASI
#CASISOLVER=NONE
# Edit following 2 lines to build with MF2 Solver
MF2SOLVER=NONE
#MF2SOLVER=SERIAL
#MF2SOLVER=MF2PARALLEL
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
#INTELSOLVER=NONE
INTELSOLVER=PARDISO
# Edit following lines to build with MUMPS
if test "$MARC_INTEGER_SIZE" = "i4" ; then
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
else
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
fi
# Edit following lines to build with GPGPU version of BCS Solver for
# NVIDIA platforms
BCSGPUSOLVER=NONE
#BCSGPUSOLVER=BCSGPU
# Edit following 2 lines to build MARC dynamic shared library
MARC_DLL=MARC_DLL
#MARC_DLL=NONE
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
MARC_DLL=NONE
fi
#
# define Fortran and C compile syntax
#
SOLVERFLAGS=
if test "$VKISOLVER" = VKI
then
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
fi
if test "$CASISOLVER" = CASI
then
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
fi
if test "$MF2SOLVER" = MF2PARALLEL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
fi
if test "$MF2SOLVER" = MF2SERIAL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
fi
if test "$INTELSOLVER" = PARDISO
then
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
fi
if test "$MUMPSSOLVER" = MUMPS
then
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU"
fi
if test "$MARC_DLL" = MARC_DLL
then
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
fi
LINK_OPT=
DEBUG_OPT=
C_DEBUG_OPT=
#Uncomment following line to build Marc in debuggable mode
MARCDEBUG=
#MARCDEBUG="ON"
if test "$MARCDEBUG" = "ON"
then
LINK_OPT="-debug -traceback"
DEBUG_OPT="-debug -traceback"
C_DEBUG_OPT="-debug -traceback"
fi
MARCCHECK=
#MARCCHECK="ON"
if test "$MARCCHECK" = "ON"
then
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS="-real-size 64 -integer-size 32"
I8DEFINES="-DFLOAT=8 -DINT=4"
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
CDEFINES=
FDEFINES=
if test "$_OEM_NASTRAN" -ne 0
then
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
fi
FDEFINES="$FDEFINES -D_IMPLICITNONE"
if test "$_OEM_NASTRAN" -eq 0
then
FDEFINES="$FDEFINES -DOPENMP -DMKL"
fi
# -D_MSCMARC
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT"
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource"
if test "$_OEM_NASTRAN" -ne 0
then
CINCL="$CINCL -I../../include"
fi
CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL"
CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL"
CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL"
if test "$MARCDEBUG" = "ON"
then
CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL"
CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL"
CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL"
fi
LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
CCT="$CC"
CCTLOW="$CCLOW"
CCTHIGH="$CCHIGH"
CC_CASI="$CC -c99 $I8CASIDEFS"
CCLOW_CASI="$CCLOW -c99 $I8CASIDEFS"
CCHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS"
CCT_CASI="$CCT -c99 $I8CASIDEFS"
CCTLOW_CASI="$CCLOW -c99 $I8CASIDEFS"
CCTHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS"
#PROFILE="-Mprof=func"
#PROFILE="-Mprof=lines"
#PROFILE="-Mprof=func,mpi"
PROFILE=
FORTLOW="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# determine DAMASK version
HIT=0
for arg in "$@"
do
if [ $HIT = 1 ]
then
DAMASKPATH=`dirname $arg`
break
elif [ ${arg:0:2} = -u -o ${arg:0:2} = -U ]
then
HIT=1
fi
done
read DAMASKVERSION < $DAMASKPATH/../VERSION
DAMASKVERSION="'"$DAMASKVERSION"'"
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3; removed -save for calls with openMP
DFORTLOW="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTRAN="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTHIGH="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3; removed -save for calls with openMP
DFORTLOW="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTRAN="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTHIGH="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2011 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
fi
FORTLOWT="$FORTLOW"
FORTRANT="$FORTRAN"
FORTHIGHT="$FORTHIGH"
FORTRANMNF="$FCOMP -c $FDEFINES "
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
FORTRANMUMPS="$FCOMP -c -fpp -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main"
CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/bcsgpusolver/bcslib_csrc $CDEFINES $CINCL"
NVCC="nvcc -c -O3 -arch sm_13 -DLOWERCASE_ -I${MARC_SOURCE}/bcsgpusolver/bcslib_cuda/include "
BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/bcsgpusolver/common"
BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/bcsgpusolver/common"
BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/bcsgpusolver/common"
BCSFORT90HIGH="$BCSFORTHIGH"
if test "$MARCDEBUG" = "ON"
then
BCSFORTRAN=$BCSFORTLOW
BCSFORTHIGH=$BCSFORTLOW
BCSFORT90HIGH=$BCSFORTLOW
fi
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
fi
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
# if test $MPITYPE = intelmpi
# then
# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# fi
if test $MPITYPE = intelmpi
then
LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o "
fi
else
LOAD="$FCOMP $LINK_OPT -o "
LOADT="$FCOMP $LINK_OPT -o "
fi
if test "$MARC_DLL" = MARC_DLL
then
FORTLOW="$FORTLOW -fpp -fPIC"
FORTRAN="$FORTRAN -fpp -fPIC"
FORTHIGH="$FORTHIGH -fpp -fPIC"
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
CC="$CC -fPIC"
CCMNF="$CCMNF -fPIC"
CC_CASI="$CC_CASI -fPIC"
CCLOW_CASI="$CCLOW_CASI -fPIC"
CCHIGH_CASI="$CCHIGH_CASI -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
XLIBS="-L/usr/X11/lib -lX11 "
#
# define archive and ranlib syntax
#
ARC="ar rvl"
ARD="ar dvl"
ARX="ar xl"
RAN=""
#
# choose which libraries you want to use ( e.g. blas )
#
if test "$VKISOLVER" = VKI
then
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
else
VKISOLVERLIBS=
fi
if test "$CASISOLVER" = CASI
then
CASISOLVERLIBS="$MARC_LIB/casilib.a"
else
CASISOLVERLIBS=
fi
MF2SOLVERLIBS=
if test "$MF2SOLVER" = MF2PARALLEL
then
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
$MARC_LIB/mf2parallel/libsym.a \
$MARC_LIB/mf2parallel/libmet.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libnum.a \
$MARC_LIB/mf2parallel/libutl.a \
$MARC_LIB/mf2parallel/libr8.a \
$MARC_LIB/mf2parallel/libz.a "
fi
if test "$INTELSOLVER" = PARDISO
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a"
else
INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a"
fi
else
INTELSOLVERLIBS=
fi
if test "$MUMPSSOLVER" = MUMPS
then
MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
if test $MPITYPE = none
then
MUMPSSOLVERLIBS2=
echo hello > /dev/null
fi
if test $MPITYPE = intelmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
else
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
fi
fi
if test $MPITYPE = hpmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_lp64.a"
else
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a"
fi
fi
else
MUMPSSOLVERLIBS=
MUMPSSOLVERLIBS2=
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a -L/usr/local/cuda/lib -lcudart -lcublas -lcuda "
else
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MKLLIB=$MARC_MKL/libmkl_intel_lp64.a
else
MKLLIB=$MARC_MKL/libmkl_intel_ilp64.a
fi
SECLIBS="-L$MARC_LIB -llapi"
SOLVERLIBS="${BCSSOLVERLIBS} \
${INTELSOLVERLIBS} ${MUMPSSOLVERLIBS2} ${MF2SOLVERLIBS} \
-Wl,--start-group $MKLLIB $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group \
$MARC_MKL/libguide.a \
$MARC_LIB/blas_src.a ${VKISOLVERLIBS} ${CASISOLVERLIBS} "
SOLVERLIBS_DLL=${SOLVERLIBS}
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
MRCLIBSPAR="$MARC_LIB/clib.a"
STUBS="$MARC_LIB/stubs.a "
MNFLIBS="$MARC_LIB/libmnf.a"
MDUSER="$MARC_LIB/md_user.a"
OPENMP="-openmp"
SYSLIBS=" $OPENMP -lpthread "
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
# then
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
# fi
if test $MPITYPE = intelmpi
then
SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -lpthread"
fi
SYSLIBSPAR=" "
MARC_DLL_CODES="runmarc.f"
BLAS_SRC="dzero.f icopy.f izero.f"
if test "$_OEM_NASTRAN" -ne 0
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
else
BLAS_SRC="ALL"
fi
fi
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
inertie.f em_sso072.f cn_fol3d_qpatch6.f"
if test "$MARC_INTEGER_SIZE" = "i8" ; then
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
fi
LOW_OPT_CODES_CASI=""
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f "
HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
MAXNUM=1000000

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installation/mods_MarcMentat/2011/Marc_tools/include_linux64.original
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@ -1,641 +0,0 @@
#
# General definitions for the Marc 2011 version
#
# EM64T
# ( LP64 - i4 version)
# (ILP64 - i8 version)
#
# Linux RedHat 5.4
#
# 64 bit MPI version
#
# Intel(R) Fortran Compiler
# Version 12.0.4
#
# Intel(R) C Compiler
# Version 12.0.4
#
# DATE
#
# To check the O/S level, type:
# uname -a
#
# Distributed parallel MPI libraries:
# 1) HP MPI 2.3
# To check the mpi version, type:
# mpirun -version
# 2) Intel MPI 4.0.1.007
# To check the mpi version, type:
# mpirun -version
#
# MKL Libraries:
# Intel(R) MKL 10.3.0.084
#
# To check the Compiler level, type using the compiler
# installation path:
# ifort -V
# icc -V
#
# REMARKS : This file contains the definitions of variables used during
# compilation loading and use of the MARC programmes . The
# current machine type is identified by means of the variable
# MACHINE , defined below.
#
#
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
# DIRJOB : directory in which spawned jobs should look for Marc input
# MPI_ARCH: system architecture
# MPI_EPATH: path where executable resides
#
REVISION="VERSION, BUILD"
HOSTNAME=`hostname`
# find available memory in Mbyte on the machine
# can be set explicitly
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
# set _OEM_NASTRAN to 1 for MD Nastran build
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
# uncomment the following line for an autoforge build
#AUTOFORGE=1
AUTOFORGE=0
export AUTOFORGE
# integer size
if test "$MARC_INTEGER_SIZE" = "" ; then
INTEGER_PATH=
else
INTEGER_PATH=/$MARC_INTEGER_SIZE
fi
FCOMP=ifort
#
# settings for Metis
#
METIS="-I$METIS_SOURCE"
METISLIBS="$MARC_LIB/metis.a "
#
# settings for MPI
#
# RCP and RSH are used for parallel network runs
# replace with similar commands like rsh if needed
RCP=/usr/bin/scp
RSH=/usr/bin/ssh
#
# select MPITYPE based upon what is installed
MPITYPE=none
if test -d $MARC_INTELMPI
then
MPITYPE=intelmpi
fi
if test -d $MARC_HPMPI
then
MPITYPE=hpmpi
fi
if test $AUTOFORGE
then
if test $AUTOFORGE = 1
then
MPITYPE=none
fi
fi
# uncomment one of the definitions of MPITYPE below to
# explicitly choose the type of MPI to use
#MPITYPE=none
#MPITYPE=hpmpi
#MPITYPE=intelmpi
MPI_DEFAULT=hpmpi
MPI_OTHER=intelmpi
INTELMPI_VERSION=HYDRA
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
if test $MARC_MPITYPE
then
MPITYPE=$MARC_MPITYPE
fi
# always set MPITYPE to none for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
MPITYPE=none
fi
#
# settings for MPI
#
DDM=
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
FCOMPMPI=mpif90
export MPI_ROOT=$MARC_HPMPI
export MPI_REMSH=$RSH
export MPI_F77=$FCOMP
ARCHITECTURE=linux_amd64
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
MPI_CLEAN=
export MPI_EPATH=$MARC_BIN
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
export MPIHPSPECIAL="-e MPI_FLAGS=E,T"
export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
if test -n "$MSC_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
fi
if test -n "$LM_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
fi
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
RUN_JOB0=
fi
if test $MPITYPE = intelmpi
then
FCOMPMPI=mpiifort
MPI_ROOT=$MARC_INTELMPI
DDM="-I${MPI_ROOT}/include64 -DDDM"
PATH=$MPI_ROOT/bin64:$PATH
export PATH
LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
if test $INTELMPI_VERSION = HYDRA
then
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra "
else
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
fi
RUN_JOB0=
MPI_CLEAN=
MPI_EPATH=$MARC_BIN
MPIR_HOME=$MPI_ROOT
MPICH_F77=$FCOMP
MPICH_F77LINKER=$FCOMP
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
I_MPI_PIN_DOMAIN=node
export I_MPI_PIN_DOMAIN
fi
else
MPI_ROOT=$MARC_DUMMYMPI
export MPI_ROOT=$MARC_DUMMYMPI
DDM="-I$MPI_ROOT/include"
fi
#
# variables for the "maintain" script
#
MACHINENAME=LINUX
MACHINE64BIT=yes
MACHINE=Linux_EM64T
DEV=/dev/tape
GETLOG="whoami"
CLEAR="clear"
MY_UNAME=`uname -a`
# Edit following 2 lines to build with VKI Solver
#VKISOLVER=VKI
VKISOLVER=NONE
# Edit following 2 lines to build with CASI Solver
CASISOLVER=CASI
#CASISOLVER=NONE
# Edit following 2 lines to build with MF2 Solver
MF2SOLVER=NONE
#MF2SOLVER=SERIAL
#MF2SOLVER=MF2PARALLEL
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
#INTELSOLVER=NONE
INTELSOLVER=PARDISO
# Edit following lines to build with MUMPS
if test "$MARC_INTEGER_SIZE" = "i4" ; then
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
else
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
fi
# Edit following lines to build with GPGPU version of BCS Solver for
# NVIDIA platforms
BCSGPUSOLVER=NONE
#BCSGPUSOLVER=BCSGPU
# Edit following 2 lines to build MARC dynamic shared library
MARC_DLL=MARC_DLL
#MARC_DLL=NONE
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
MARC_DLL=NONE
fi
#
# define Fortran and C compile syntax
#
SOLVERFLAGS=
if test "$VKISOLVER" = VKI
then
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
fi
if test "$CASISOLVER" = CASI
then
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
fi
if test "$MF2SOLVER" = MF2PARALLEL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
fi
if test "$MF2SOLVER" = MF2SERIAL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
fi
if test "$INTELSOLVER" = PARDISO
then
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
fi
if test "$MUMPSSOLVER" = MUMPS
then
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU"
fi
if test "$MARC_DLL" = MARC_DLL
then
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
fi
LINK_OPT=
DEBUG_OPT=
C_DEBUG_OPT=
#Uncomment following line to build Marc in debuggable mode
MARCDEBUG=
#MARCDEBUG="ON"
if test "$MARCDEBUG" = "ON"
then
LINK_OPT="-debug -traceback"
DEBUG_OPT="-debug -traceback"
C_DEBUG_OPT="-debug -traceback"
fi
MARCCHECK=
#MARCCHECK="ON"
if test "$MARCCHECK" = "ON"
then
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS=
I8DEFINES=
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8"
I8DEFINES="-DI64"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
CDEFINES=
FDEFINES=
if test "$_OEM_NASTRAN" -ne 0
then
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
fi
FDEFINES="$FDEFINES -D_IMPLICITNONE"
if test "$_OEM_NASTRAN" -eq 0
then
FDEFINES="$FDEFINES -DOPENMP -DMKL"
fi
# -D_MSCMARC
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT"
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource"
if test "$_OEM_NASTRAN" -ne 0
then
CINCL="$CINCL -I../../include"
fi
CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL"
CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL"
CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL"
if test "$MARCDEBUG" = "ON"
then
CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL"
CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL"
CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL"
fi
LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
CCT="$CC"
CCTLOW="$CCLOW"
CCTHIGH="$CCHIGH"
CC_CASI="$CC -c99 $I8CASIDEFS"
CCLOW_CASI="$CCLOW -c99 $I8CASIDEFS"
CCHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS"
CCT_CASI="$CCT -c99 $I8CASIDEFS"
CCTLOW_CASI="$CCLOW -c99 $I8CASIDEFS"
CCTHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS"
#PROFILE="-Mprof=func"
#PROFILE="-Mprof=lines"
#PROFILE="-Mprof=func,mpi"
PROFILE=
FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
fi
FORTLOWT="$FORTLOW"
FORTRANT="$FORTRAN"
FORTHIGHT="$FORTHIGH"
FORTRANMNF="$FCOMP -c $FDEFINES "
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
FORTRANMUMPS="$FCOMP -c -fpp -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main"
CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/bcsgpusolver/bcslib_csrc $CDEFINES $CINCL"
NVCC="nvcc -c -O3 -arch sm_13 -DLOWERCASE_ -I${MARC_SOURCE}/bcsgpusolver/bcslib_cuda/include "
BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/bcsgpusolver/common"
BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/bcsgpusolver/common"
BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/bcsgpusolver/common"
BCSFORT90HIGH="$BCSFORTHIGH"
if test "$MARCDEBUG" = "ON"
then
BCSFORTRAN=$BCSFORTLOW
BCSFORTHIGH=$BCSFORTLOW
BCSFORT90HIGH=$BCSFORTLOW
fi
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
fi
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
# if test $MPITYPE = intelmpi
# then
# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# fi
if test $MPITYPE = intelmpi
then
LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o "
fi
else
LOAD="$FCOMP $LINK_OPT -o "
LOADT="$FCOMP $LINK_OPT -o "
fi
if test "$MARC_DLL" = MARC_DLL
then
FORTLOW="$FORTLOW -fpp -fPIC"
FORTRAN="$FORTRAN -fpp -fPIC"
FORTHIGH="$FORTHIGH -fpp -fPIC"
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
CC="$CC -fPIC"
CCMNF="$CCMNF -fPIC"
CC_CASI="$CC_CASI -fPIC"
CCLOW_CASI="$CCLOW_CASI -fPIC"
CCHIGH_CASI="$CCHIGH_CASI -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
XLIBS="-L/usr/X11/lib -lX11 "
#
# define archive and ranlib syntax
#
ARC="ar rvl"
ARD="ar dvl"
ARX="ar xl"
RAN=""
#
# choose which libraries you want to use ( e.g. blas )
#
if test "$VKISOLVER" = VKI
then
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
else
VKISOLVERLIBS=
fi
if test "$CASISOLVER" = CASI
then
CASISOLVERLIBS="$MARC_LIB/casilib.a"
else
CASISOLVERLIBS=
fi
MF2SOLVERLIBS=
if test "$MF2SOLVER" = MF2PARALLEL
then
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
$MARC_LIB/mf2parallel/libsym.a \
$MARC_LIB/mf2parallel/libmet.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libnum.a \
$MARC_LIB/mf2parallel/libutl.a \
$MARC_LIB/mf2parallel/libr8.a \
$MARC_LIB/mf2parallel/libz.a "
fi
if test "$INTELSOLVER" = PARDISO
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a"
else
INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a"
fi
else
INTELSOLVERLIBS=
fi
if test "$MUMPSSOLVER" = MUMPS
then
MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
if test $MPITYPE = none
then
MUMPSSOLVERLIBS2=
echo hello > /dev/null
fi
if test $MPITYPE = intelmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
else
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
fi
fi
if test $MPITYPE = hpmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_lp64.a"
else
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a"
fi
fi
else
MUMPSSOLVERLIBS=
MUMPSSOLVERLIBS2=
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a -L/usr/local/cuda/lib -lcudart -lcublas -lcuda "
else
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MKLLIB=$MARC_MKL/libmkl_intel_lp64.a
else
MKLLIB=$MARC_MKL/libmkl_intel_ilp64.a
fi
SECLIBS="-L$MARC_LIB -llapi"
SOLVERLIBS="${BCSSOLVERLIBS} \
${INTELSOLVERLIBS} ${MUMPSSOLVERLIBS2} ${MF2SOLVERLIBS} \
-Wl,--start-group $MKLLIB $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group \
$MARC_MKL/libguide.a \
$MARC_LIB/blas_src.a ${VKISOLVERLIBS} ${CASISOLVERLIBS} "
SOLVERLIBS_DLL=${SOLVERLIBS}
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
MRCLIBSPAR="$MARC_LIB/clib.a"
STUBS="$MARC_LIB/stubs.a "
MNFLIBS="$MARC_LIB/libmnf.a"
MDUSER="$MARC_LIB/md_user.a"
OPENMP="-openmp"
SYSLIBS=" $OPENMP -lpthread "
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
# then
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
# fi
if test $MPITYPE = intelmpi
then
SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -lpthread"
fi
SYSLIBSPAR=" "
MARC_DLL_CODES="runmarc.f"
BLAS_SRC="dzero.f icopy.f izero.f"
if test "$_OEM_NASTRAN" -ne 0
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
else
BLAS_SRC="ALL"
fi
fi
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
inertie.f em_sso072.f cn_fol3d_qpatch6.f"
if test "$MARC_INTEGER_SIZE" = "i8" ; then
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
fi
LOW_OPT_CODES_CASI=""
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f "
HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
MAXNUM=1000000

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#!/bin/sh
# This script opens a window running an editor. The default window is an
# xterm, and the default editor is vi. These may be customized.
if [ "`uname`" = "SunOS" ]; then
dir=/usr/openwin/bin
else
dir=/usr/bin/X11
fi
# $dir/xterm -T "vi $*" -n "vi $*" -e vi $*
%EDITOR% $*

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#!/bin/sh
# This script opens a window running an editor. The default window is an
# xterm, and the default editor is vi. These may be customized.
if [ "`uname`" = "SunOS" ]; then
dir=/usr/openwin/bin
else
dir=/usr/bin/X11
fi
$dir/xterm -T "vi $*" -n "vi $*" -e vi $*

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#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=/home/f.roters/msc/marc2011
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1
sleep 1
exit 0

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@ -1,157 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1
sleep 1
exit 0

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installation/mods_MarcMentat/2011/Mentat_bin/submit5
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@ -1,157 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1
sleep 1
exit 0

157
installation/mods_MarcMentat/2011/Mentat_bin/submit6
View File

@ -1,157 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1
sleep 1
exit 0

157
installation/mods_MarcMentat/2011/Mentat_bin/submit7
View File

@ -1,157 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1
sleep 1
exit 0

157
installation/mods_MarcMentat/2011/Mentat_bin/submit8
View File

@ -1,157 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1
sleep 1
exit 0

157
installation/mods_MarcMentat/2011/Mentat_bin/submit9
View File

@ -1,157 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1
sleep 1
exit 0

2867
installation/mods_MarcMentat/2011/Mentat_menus/job_run.ms
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2664
installation/mods_MarcMentat/2011/Mentat_menus/job_run.ms.org
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52
installation/mods_MarcMentat/2012/Marc_tools/comp_damask
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTRAN $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
installation/mods_MarcMentat/2012/Marc_tools/comp_damask_h
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTHIGH $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
installation/mods_MarcMentat/2012/Marc_tools/comp_damask_hmp
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTHIGHMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
installation/mods_MarcMentat/2012/Marc_tools/comp_damask_l
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTLOW $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
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@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

41
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@ -1,41 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user.f on host `hostname`"
echo "program: $program"
$FORTRAN $user.f || \
{
echo "$0: compile failed for $user.f"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$user.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$SYSLIBS || \
{
echo "$0: link failed for $user.o on host `hostname`"
exit 1
}
/bin/rm $userobj

703
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@ -1,703 +0,0 @@
#
# General definitions for the Marc 2011 version
#
# EM64T
# ( LP64 - i4 version)
# (ILP64 - i8 version)
#
# Linux RedHat 5.4
#
# 64 bit MPI version
#
# Intel(R) Fortran Compiler
# Version 12.0.4
#
# Intel(R) C Compiler
# Version 12.0.4
#
# DATE
#
# To check the O/S level, type:
# uname -a
#
# Distributed parallel MPI libraries:
# 1) HP MPI 2.3
# To check the mpi version, type:
# mpirun -version
# 2) Intel MPI 4.0.1.007
# To check the mpi version, type:
# mpirun -version
#
# MKL Libraries:
# Intel(R) MKL 10.3.0.084
#
# To check the Compiler level, type using the compiler
# installation path:
# ifort -V
# icc -V
#
# REMARKS : This file contains the definitions of variables used during
# compilation loading and use of the MARC programmes . The
# current machine type is identified by means of the variable
# MACHINE , defined below.
#
#
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
# DIRJOB : directory in which spawned jobs should look for Marc input
# MPI_ARCH: system architecture
# MPI_EPATH: path where executable resides
#
REVISION="VERSION, BUILD"
HOSTNAME=`hostname`
# find available memory in Mbyte on the machine
# can be set explicitly
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
# set _OEM_NASTRAN to 1 for MD Nastran build
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
# uncomment the following line for an autoforge build
#AUTOFORGE=1
AUTOFORGE=0
export AUTOFORGE
# integer size
if test "$MARC_INTEGER_SIZE" = "" ; then
INTEGER_PATH=
else
INTEGER_PATH=/$MARC_INTEGER_SIZE
fi
FCOMP=ifort
#
# settings for Metis
#
METIS="-I$METIS_SOURCE"
METISLIBS="$MARC_LIB/metis.a "
#
# settings for MPI
#
# RCP and RSH are used for parallel network runs
# replace with similar commands like rsh if needed
RCP=/usr/bin/scp
RSH=/usr/bin/ssh
#
MPI_DEFAULT=intelmpi
MPI_OTHER=hpmpi
MPITYPE=$MPI_DEFAULT
if test $AUTOFORGE
then
if test $AUTOFORGE = 1
then
MPITYPE=none
fi
fi
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
if test $MARC_MPITYPE
then
MPITYPE=$MARC_MPITYPE
fi
# always set MPITYPE to none for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
MPITYPE=none
fi
# Edit following lines to build with GPGPU version of BCS Solver for
# NVIDIA platforms
#BCSGPUSOLVER=NONE
BCSGPUSOLVER=BCSGPU
SOLVERFLAGS=
if test "$BCSGPUSOLVER" = BCSGPU
then
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
BCS_DIR=bcsgpusolver
export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
else
BCS_DIR=bcssolver
fi
#
# settings for MPI
#
DDM=
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
FCOMPMPI=mpif90
export MPI_ROOT=$MARC_HPMPI
export MPI_REMSH=$RSH
export MPI_F77=$FCOMP
ARCHITECTURE=linux_amd64
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
MPI_CLEAN=
export MPI_EPATH=$MARC_BIN
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
# Below line is moved in run_marc file
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
if test -n "$MSC_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
fi
if test -n "$LM_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
fi
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
RUN_JOB0=
fi
if test $MPITYPE = intelmpi
then
INTELMPI_VERSION=HYDRA
FCOMPMPI=mpiifort
MPI_ROOT=$MARC_INTELMPI
DDM="-I${MPI_ROOT}/include64 -DDDM"
PATH=$MPI_ROOT/bin64:$PATH
export PATH
LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
if test $INTELMPI_VERSION = HYDRA
then
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
else
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
fi
RUN_JOB0=
MPI_CLEAN=
MPI_EPATH=$MARC_BIN
MPIR_HOME=$MPI_ROOT
MPICH_F77=$FCOMP
MPICH_F77LINKER=$FCOMP
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
I_MPI_PIN_DOMAIN=node
export I_MPI_PIN_DOMAIN
fi
else
MPI_ROOT=$MARC_DUMMYMPI
export MPI_ROOT=$MARC_DUMMYMPI
DDM="-I$MPI_ROOT/include"
fi
#
# variables for the "maintain" script
#
MACHINENAME=LINUX
MACHINE64BIT=yes
MACHINE=Linux_EM64T
DEV=/dev/tape
GETLOG="whoami"
CLEAR="clear"
MY_UNAME=`uname -a`
# Edit following 2 lines to build with VKI Solver
#VKISOLVER=VKI
VKISOLVER=NONE
# Edit following 2 lines to build with CASI Solver
CASISOLVER=CASI
#CASISOLVER=NONE
# Edit following 2 lines to build with MF2 Solver
MF2SOLVER=NONE
#MF2SOLVER=SERIAL
#MF2SOLVER=MF2PARALLEL
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
#INTELSOLVER=NONE
INTELSOLVER=PARDISO
# Edit following lines to build with MUMPS
if test "$MARC_INTEGER_SIZE" = "i4" ; then
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
else
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
fi
# Edit following 2 lines to build MARC dynamic shared library
MARC_DLL=MARC_DLL
#MARC_DLL=NONE
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
MARC_DLL=NONE
fi
#
# define Fortran and C compile syntax
#
if test "$VKISOLVER" = VKI
then
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
fi
if test "$CASISOLVER" = CASI
then
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
fi
if test "$MF2SOLVER" = MF2PARALLEL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
fi
if test "$MF2SOLVER" = MF2SERIAL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
fi
if test "$INTELSOLVER" = PARDISO
then
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
fi
if test "$MUMPSSOLVER" = MUMPS
then
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
fi
if test "$MARC_DLL" = MARC_DLL
then
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
fi
LINK_OPT=
DEBUG_OPT=
C_DEBUG_OPT=
#Uncomment following line to build Marc in debuggable mode
MARCDEBUG=
#MARCDEBUG="ON"
if test "$MARCDEBUG" = "ON"
then
LINK_OPT="-debug -traceback"
DEBUG_OPT="-debug -traceback"
C_DEBUG_OPT="-debug -traceback"
fi
MARCCHECK=
#MARCCHECK="ON"
if test "$MARCCHECK" = "ON"
then
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS="-real-size 64 -integer-size 32"
I8DEFINES="-DFLOAT=8 -DINT=4"
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
CDEFINES=
FDEFINES=
if test "$_OEM_NASTRAN" -ne 0
then
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
fi
FDEFINES="$FDEFINES -D_IMPLICITNONE"
if test "$_OEM_NASTRAN" -eq 0
then
FDEFINES="$FDEFINES -DOPENMP -DMKL"
fi
# -D_MSCMARC
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT"
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource"
if test "$_OEM_NASTRAN" -ne 0
then
CINCL="$CINCL -I../../include"
fi
CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
if test "$MARCDEBUG" = "ON"
then
CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
fi
LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
CCT="$CC"
CCTLOW="$CCLOW"
CCTHIGH="$CCHIGH"
CC_CASI="$CC -c99 $I8CASIDEFS"
CCLOW_CASI="$CCLOW -c99 $I8CASIDEFS"
CCHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS"
CCT_CASI="$CCT -c99 $I8CASIDEFS"
CCTLOW_CASI="$CCLOW -c99 $I8CASIDEFS"
CCTHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS"
#PROFILE="-Mprof=func"
#PROFILE="-Mprof=lines"
#PROFILE="-Mprof=func,mpi"
PROFILE=
FORTLOW="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# determine DAMASK version
HIT=0
for arg in "$@"
do
if [ $HIT = 1 ]
then
DAMASKPATH=`dirname $arg`
break
elif [ ${arg:0:2} = -u -o ${arg:0:2} = -U ]
then
HIT=1
fi
done
read DAMASKVERSION < $DAMASKPATH/../VERSION
DAMASKVERSION="'"$DAMASKVERSION"'"
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3; removed -save for calls with openMP
DFORTLOW="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTRAN="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTHIGH="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3; removed -save for calls with openMP
DFORTLOW="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTRAN="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTHIGH="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2012 -DDAMASKVERSION=$DAMASKVERSION \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
fi
FORTLOWT="$FORTLOW"
FORTRANT="$FORTRAN"
FORTHIGHT="$FORTHIGH"
FORTRANMNF="$FCOMP -c $FDEFINES "
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
FORTRANMUMPS="$FCOMP -c -fpp -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main"
CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
NVCCLIB="ar rvl"
NVCCLD=gcc
BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORT90HIGH="$BCSFORTHIGH"
if test "$MARCDEBUG" = "ON"
then
BCSFORTRAN=$BCSFORTLOW
BCSFORTHIGH=$BCSFORTLOW
BCSFORT90HIGH=$BCSFORTLOW
fi
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
fi
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
# if test $MPITYPE = intelmpi
# then
# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# fi
if test $MPITYPE = intelmpi
then
LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o "
fi
else
LOAD="$FCOMP $LINK_OPT -o "
LOADT="$FCOMP $LINK_OPT -o "
fi
if test "$MARC_DLL" = MARC_DLL
then
FORTLOW="$FORTLOW -fpp -fPIC"
FORTRAN="$FORTRAN -fpp -fPIC"
FORTHIGH="$FORTHIGH -fpp -fPIC"
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
CC="$CC -fPIC"
CCMNF="$CCMNF -fPIC"
CC_CASI="$CC_CASI -fPIC"
CCLOW_CASI="$CCLOW_CASI -fPIC"
CCHIGH_CASI="$CCHIGH_CASI -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
XLIBS="-L/usr/X11/lib -lX11 "
#
# define archive and ranlib syntax
#
ARC="ar rvl"
ARD="ar dvl"
ARX="ar xl"
RAN=""
#
# choose which libraries you want to use ( e.g. blas )
#
if test "$VKISOLVER" = VKI
then
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
else
VKISOLVERLIBS=
fi
if test "$CASISOLVER" = CASI
then
CASISOLVERLIBS="$MARC_LIB/casilib.a"
else
CASISOLVERLIBS=
fi
MF2SOLVERLIBS=
if test "$MF2SOLVER" = MF2PARALLEL
then
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
$MARC_LIB/mf2parallel/libsym.a \
$MARC_LIB/mf2parallel/libmet.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libnum.a \
$MARC_LIB/mf2parallel/libutl.a \
$MARC_LIB/mf2parallel/libr8.a \
$MARC_LIB/mf2parallel/libz.a "
fi
if test "$INTELSOLVER" = PARDISO
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a"
else
INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a"
fi
else
INTELSOLVERLIBS=
fi
if test "$MUMPSSOLVER" = MUMPS
then
MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
if test $MPITYPE = none
then
MUMPSSOLVERLIBS2=
echo hello > /dev/null
fi
if test $MPITYPE = intelmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
else
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
fi
fi
if test $MPITYPE = hpmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_lp64.a"
else
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a"
fi
fi
else
MUMPSSOLVERLIBS=
MUMPSSOLVERLIBS2=
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
MARCCUDALIBS=$MARCCUDALIBS1
CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
else
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MKLLIB=$MARC_MKL/libmkl_intel_lp64.a
else
MKLLIB=$MARC_MKL/libmkl_intel_ilp64.a
fi
SECLIBS="-L$MARC_LIB -llapi"
SOLVERLIBS="${BCSSOLVERLIBS} \
${INTELSOLVERLIBS} ${MUMPSSOLVERLIBS2} ${MF2SOLVERLIBS} \
-Wl,--start-group $MKLLIB $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group \
$MARC_MKL/libguide.a \
$MARC_LIB/blas_src.a ${VKISOLVERLIBS} ${CASISOLVERLIBS} "
SOLVERLIBS_DLL=${SOLVERLIBS}
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
MRCLIBSPAR="$MARC_LIB/clib.a"
STUBS="$MARC_LIB/stubs.a "
MNFLIBS="$MARC_LIB/libmnf.a"
MDUSER="$MARC_LIB/md_user.a"
OPENMP="-openmp"
SYSLIBS=" $OPENMP -lpthread "
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
# then
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
# fi
if test $MPITYPE = intelmpi
then
SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -lpthread"
fi
SYSLIBSPAR=" "
MARC_DLL_CODES="runmarc.f"
BLAS_SRC="dzero.f icopy.f izero.f"
if test "$_OEM_NASTRAN" -ne 0
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
else
BLAS_SRC="ALL"
fi
fi
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
inertie.f em_sso072.f cn_fol3d_qpatch6.f"
if test "$MARC_INTEGER_SIZE" = "i8" ; then
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
fi
LOW_OPT_CODES_CASI=""
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f "
HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
MAXNUM=1000000

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@ -1,641 +0,0 @@
#
# General definitions for the Marc 2011 version
#
# EM64T
# ( LP64 - i4 version)
# (ILP64 - i8 version)
#
# Linux RedHat 5.4
#
# 64 bit MPI version
#
# Intel(R) Fortran Compiler
# Version 12.0.4
#
# Intel(R) C Compiler
# Version 12.0.4
#
# DATE
#
# To check the O/S level, type:
# uname -a
#
# Distributed parallel MPI libraries:
# 1) HP MPI 2.3
# To check the mpi version, type:
# mpirun -version
# 2) Intel MPI 4.0.1.007
# To check the mpi version, type:
# mpirun -version
#
# MKL Libraries:
# Intel(R) MKL 10.3.0.084
#
# To check the Compiler level, type using the compiler
# installation path:
# ifort -V
# icc -V
#
# REMARKS : This file contains the definitions of variables used during
# compilation loading and use of the MARC programmes . The
# current machine type is identified by means of the variable
# MACHINE , defined below.
#
#
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
# DIRJOB : directory in which spawned jobs should look for Marc input
# MPI_ARCH: system architecture
# MPI_EPATH: path where executable resides
#
REVISION="VERSION, BUILD"
HOSTNAME=`hostname`
# find available memory in Mbyte on the machine
# can be set explicitly
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
# set _OEM_NASTRAN to 1 for MD Nastran build
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
# uncomment the following line for an autoforge build
#AUTOFORGE=1
AUTOFORGE=0
export AUTOFORGE
# integer size
if test "$MARC_INTEGER_SIZE" = "" ; then
INTEGER_PATH=
else
INTEGER_PATH=/$MARC_INTEGER_SIZE
fi
FCOMP=ifort
#
# settings for Metis
#
METIS="-I$METIS_SOURCE"
METISLIBS="$MARC_LIB/metis.a "
#
# settings for MPI
#
# RCP and RSH are used for parallel network runs
# replace with similar commands like rsh if needed
RCP=/usr/bin/scp
RSH=/usr/bin/ssh
#
MPI_DEFAULT=intelmpi
MPI_OTHER=hpmpi
MPITYPE=$MPI_DEFAULT
if test $AUTOFORGE
then
if test $AUTOFORGE = 1
then
MPITYPE=none
fi
fi
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
if test $MARC_MPITYPE
then
MPITYPE=$MARC_MPITYPE
fi
# always set MPITYPE to none for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
MPITYPE=none
fi
# Edit following lines to build with GPGPU version of BCS Solver for
# NVIDIA platforms
#BCSGPUSOLVER=NONE
BCSGPUSOLVER=BCSGPU
SOLVERFLAGS=
if test "$BCSGPUSOLVER" = BCSGPU
then
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
BCS_DIR=bcsgpusolver
export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
else
BCS_DIR=bcssolver
fi
#
# settings for MPI
#
DDM=
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
FCOMPMPI=mpif90
export MPI_ROOT=$MARC_HPMPI
export MPI_REMSH=$RSH
export MPI_F77=$FCOMP
ARCHITECTURE=linux_amd64
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
MPI_CLEAN=
export MPI_EPATH=$MARC_BIN
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
# Below line is moved in run_marc file
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
if test -n "$MSC_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
fi
if test -n "$LM_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
fi
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
RUN_JOB0=
fi
if test $MPITYPE = intelmpi
then
INTELMPI_VERSION=HYDRA
FCOMPMPI=mpiifort
MPI_ROOT=$MARC_INTELMPI
DDM="-I${MPI_ROOT}/include64 -DDDM"
PATH=$MPI_ROOT/bin64:$PATH
export PATH
LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
if test $INTELMPI_VERSION = HYDRA
then
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
else
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
fi
RUN_JOB0=
MPI_CLEAN=
MPI_EPATH=$MARC_BIN
MPIR_HOME=$MPI_ROOT
MPICH_F77=$FCOMP
MPICH_F77LINKER=$FCOMP
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
I_MPI_PIN_DOMAIN=node
export I_MPI_PIN_DOMAIN
fi
else
MPI_ROOT=$MARC_DUMMYMPI
export MPI_ROOT=$MARC_DUMMYMPI
DDM="-I$MPI_ROOT/include"
fi
#
# variables for the "maintain" script
#
MACHINENAME=LINUX
MACHINE64BIT=yes
MACHINE=Linux_EM64T
DEV=/dev/tape
GETLOG="whoami"
CLEAR="clear"
MY_UNAME=`uname -a`
# Edit following 2 lines to build with VKI Solver
#VKISOLVER=VKI
VKISOLVER=NONE
# Edit following 2 lines to build with CASI Solver
CASISOLVER=CASI
#CASISOLVER=NONE
# Edit following 2 lines to build with MF2 Solver
MF2SOLVER=NONE
#MF2SOLVER=SERIAL
#MF2SOLVER=MF2PARALLEL
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
#INTELSOLVER=NONE
INTELSOLVER=PARDISO
# Edit following lines to build with MUMPS
if test "$MARC_INTEGER_SIZE" = "i4" ; then
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
else
#MUMPSSOLVER=NONE
MUMPSSOLVER=MUMPS
fi
# Edit following 2 lines to build MARC dynamic shared library
MARC_DLL=MARC_DLL
#MARC_DLL=NONE
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
if test "$_OEM_NASTRAN" -ne 0
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
MARC_DLL=NONE
fi
#
# define Fortran and C compile syntax
#
if test "$VKISOLVER" = VKI
then
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
fi
if test "$CASISOLVER" = CASI
then
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
fi
if test "$MF2SOLVER" = MF2PARALLEL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
fi
if test "$MF2SOLVER" = MF2SERIAL
then
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
fi
if test "$INTELSOLVER" = PARDISO
then
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
fi
if test "$MUMPSSOLVER" = MUMPS
then
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
fi
if test "$MARC_DLL" = MARC_DLL
then
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
fi
LINK_OPT=
DEBUG_OPT=
C_DEBUG_OPT=
#Uncomment following line to build Marc in debuggable mode
MARCDEBUG=
#MARCDEBUG="ON"
if test "$MARCDEBUG" = "ON"
then
LINK_OPT="-debug -traceback"
DEBUG_OPT="-debug -traceback"
C_DEBUG_OPT="-debug -traceback"
fi
MARCCHECK=
#MARCCHECK="ON"
if test "$MARCCHECK" = "ON"
then
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS=
I8DEFINES=
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8"
I8DEFINES="-DI64"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
CDEFINES=
FDEFINES=
if test "$_OEM_NASTRAN" -ne 0
then
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
fi
FDEFINES="$FDEFINES -D_IMPLICITNONE"
if test "$_OEM_NASTRAN" -eq 0
then
FDEFINES="$FDEFINES -DOPENMP -DMKL"
fi
# -D_MSCMARC
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT"
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource"
if test "$_OEM_NASTRAN" -ne 0
then
CINCL="$CINCL -I../../include"
fi
CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
if test "$MARCDEBUG" = "ON"
then
CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS"
fi
LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
CCT="$CC"
CCTLOW="$CCLOW"
CCTHIGH="$CCHIGH"
CC_CASI="$CC -c99 $I8CASIDEFS"
CCLOW_CASI="$CCLOW -c99 $I8CASIDEFS"
CCHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS"
CCT_CASI="$CCT -c99 $I8CASIDEFS"
CCTLOW_CASI="$CCLOW -c99 $I8CASIDEFS"
CCTHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS"
#PROFILE="-Mprof=func"
#PROFILE="-Mprof=lines"
#PROFILE="-Mprof=func,mpi"
PROFILE=
FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
fi
FORTLOWT="$FORTLOW"
FORTRANT="$FORTRAN"
FORTHIGHT="$FORTHIGH"
FORTRANMNF="$FCOMP -c $FDEFINES "
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
FORTRANMUMPS="$FCOMP -c -fpp -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main"
CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
NVCCLIB="ar rvl"
NVCCLD=gcc
BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORT90HIGH="$BCSFORTHIGH"
if test "$MARCDEBUG" = "ON"
then
BCSFORTRAN=$BCSFORTLOW
BCSFORTHIGH=$BCSFORTLOW
BCSFORT90HIGH=$BCSFORTLOW
fi
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
fi
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
# if test $MPITYPE = intelmpi
# then
# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# fi
if test $MPITYPE = intelmpi
then
LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o "
LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o "
fi
else
LOAD="$FCOMP $LINK_OPT -o "
LOADT="$FCOMP $LINK_OPT -o "
fi
if test "$MARC_DLL" = MARC_DLL
then
FORTLOW="$FORTLOW -fpp -fPIC"
FORTRAN="$FORTRAN -fpp -fPIC"
FORTHIGH="$FORTHIGH -fpp -fPIC"
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
CC="$CC -fPIC"
CCMNF="$CCMNF -fPIC"
CC_CASI="$CC_CASI -fPIC"
CCLOW_CASI="$CCLOW_CASI -fPIC"
CCHIGH_CASI="$CCHIGH_CASI -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
XLIBS="-L/usr/X11/lib -lX11 "
#
# define archive and ranlib syntax
#
ARC="ar rvl"
ARD="ar dvl"
ARX="ar xl"
RAN=""
#
# choose which libraries you want to use ( e.g. blas )
#
if test "$VKISOLVER" = VKI
then
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
else
VKISOLVERLIBS=
fi
if test "$CASISOLVER" = CASI
then
CASISOLVERLIBS="$MARC_LIB/casilib.a"
else
CASISOLVERLIBS=
fi
MF2SOLVERLIBS=
if test "$MF2SOLVER" = MF2PARALLEL
then
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
$MARC_LIB/mf2parallel/libsym.a \
$MARC_LIB/mf2parallel/libmet.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libmf2.a \
$MARC_LIB/mf2parallel/libgauss.a \
$MARC_LIB/mf2parallel/libnum.a \
$MARC_LIB/mf2parallel/libutl.a \
$MARC_LIB/mf2parallel/libr8.a \
$MARC_LIB/mf2parallel/libz.a "
fi
if test "$INTELSOLVER" = PARDISO
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a"
else
INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a"
fi
else
INTELSOLVERLIBS=
fi
if test "$MUMPSSOLVER" = MUMPS
then
MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
if test $MPITYPE = none
then
MUMPSSOLVERLIBS2=
echo hello > /dev/null
fi
if test $MPITYPE = intelmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
else
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
fi
fi
if test $MPITYPE = hpmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_lp64.a"
else
MUMPSSOLVERLIBS2="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a"
fi
fi
else
MUMPSSOLVERLIBS=
MUMPSSOLVERLIBS2=
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
MARCCUDALIBS=$MARCCUDALIBS1
CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
else
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MKLLIB=$MARC_MKL/libmkl_intel_lp64.a
else
MKLLIB=$MARC_MKL/libmkl_intel_ilp64.a
fi
SECLIBS="-L$MARC_LIB -llapi"
SOLVERLIBS="${BCSSOLVERLIBS} \
${INTELSOLVERLIBS} ${MUMPSSOLVERLIBS2} ${MF2SOLVERLIBS} \
-Wl,--start-group $MKLLIB $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group \
$MARC_MKL/libguide.a \
$MARC_LIB/blas_src.a ${VKISOLVERLIBS} ${CASISOLVERLIBS} "
SOLVERLIBS_DLL=${SOLVERLIBS}
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
MRCLIBSPAR="$MARC_LIB/clib.a"
STUBS="$MARC_LIB/stubs.a "
MNFLIBS="$MARC_LIB/libmnf.a"
MDUSER="$MARC_LIB/md_user.a"
OPENMP="-openmp"
SYSLIBS=" $OPENMP -lpthread "
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
# then
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
# fi
if test $MPITYPE = intelmpi
then
SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -lpthread"
fi
SYSLIBSPAR=" "
MARC_DLL_CODES="runmarc.f"
BLAS_SRC="dzero.f icopy.f izero.f"
if test "$_OEM_NASTRAN" -ne 0
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
else
BLAS_SRC="ALL"
fi
fi
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
inertie.f em_sso072.f cn_fol3d_qpatch6.f"
if test "$MARC_INTEGER_SIZE" = "i8" ; then
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
fi
LOW_OPT_CODES_CASI=""
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f "
HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
MAXNUM=1000000

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#!/bin/sh
# This script opens a window running an editor. The default window is an
# xterm, and the default editor is vi. These may be customized.
if [ "`uname`" = "SunOS" ]; then
dir=/usr/openwin/bin
else
dir=/usr/bin/X11
fi
# $dir/xterm -T "vi $*" -n "vi $*" -e vi $*
%EDITOR% $*

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#!/bin/sh
# This script opens a window running an editor. The default window is an
# xterm, and the default editor is vi. These may be customized.
if [ "`uname`" = "SunOS" ]; then
dir=/usr/openwin/bin
else
dir=/usr/bin/X11
fi
$dir/xterm -T "vi $*" -n "vi $*" -e vi $*

8
installation/mods_MarcMentat/2012/Mentat_bin/kill5
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#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2012/Mentat_bin/kill7
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@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2012/Mentat_bin/kill8
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#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2012/Mentat_bin/kill9
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#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=/msc/marc2012
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1
sleep 1
exit 0

164
installation/mods_MarcMentat/2012/Mentat_bin/submit4
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@ -1,164 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1
sleep 1
exit 0

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installation/mods_MarcMentat/2012/Mentat_bin/submit5
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@ -1,164 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1
sleep 1
exit 0

164
installation/mods_MarcMentat/2012/Mentat_bin/submit6
View File

@ -1,164 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1
sleep 1
exit 0

164
installation/mods_MarcMentat/2012/Mentat_bin/submit7
View File

@ -1,164 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1
sleep 1
exit 0

164
installation/mods_MarcMentat/2012/Mentat_bin/submit8
View File

@ -1,164 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1
sleep 1
exit 0

164
installation/mods_MarcMentat/2012/Mentat_bin/submit9
View File

@ -1,164 +0,0 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=%INSTALLDIR%/marc%VERSION%
if test $MARCDIR1
then
DIR=$MARCDIR1
fi
SRCEXT=.f
RSTEXT=.t08
PSTEXT=.t19
PSTEXTB=.t16
VWFCEXT=.vfs
slv=$1
version=$2
ndom_fea_solver=$3
ndom_preprocessor=$4
hostfile=$5
compat=$6
job=$7
srcfile=$8
srcmeth=$9
shift 9 # cannot use $10, $11, ...
restart=$1
postfile=$2
viewfactorsfile=$3
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
nthread=$9
shift 9 # cannot use $10, $11, ...
nsolver=$1
mode=$2
gpu=$3
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
nprocds="-nprocds $ndom_fea_solver"
else
nprocd=""
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
nprocd="-nprocd $ndom_preprocessor"
else
nprocd=""
fi
fi
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
# srcfile=`echo $srcfile | sed "s/$SRCEXT$//"`
case "$srcmeth" in
-)
srcfile="-u $srcfile"
;;
compsave)
srcfile="-u $srcfile -save y"
;;
runsaved)
srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
else
srcfile=""
fi
if [ "$restart" != "" -a "$restart" != "-" ]; then
restart=`echo $restart | sed "s/$RSTEXT$//"`
restart="-r $restart"
else
restart=""
fi
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
postfile="-pid $postfile"
else
postfile=""
fi
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
viewfactorsfile="-vf $viewfactorsfile"
else
viewfactorsfile=""
fi
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
hostfile="-ho $hostfile"
else
hostfile=""
fi
if [ "$compat" != "" -a "$compat" != "-" ]; then
compat="-co $compat"
else
compat=""
fi
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
scr_dir="-sd $scr_dir"
else
scr_dir=""
fi
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
dcoup="-dcoup $dcoup"
else
dcoup=""
fi
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
nthread="-nthread $nthread"
else
nthread=""
fi
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
nsolver="-nsolver $nsolver"
else
nsolver=""
fi
case "$mode" in
4) mode="-mo i4" ;;
8) mode="-mo i8" ;;
*) mode= ;;
esac
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
gpu="-gpu $gpu"
else
gpu=""
fi
rm -f $job.cnt
rm -f $job.sts
rm -f $job.out
rm -f $job.log
# To prevent a mismatch with the python version used by the solver
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
# unset environment variables PYTHONHOME and PYTHONPATH
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_damask_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1
sleep 1
exit 0

2942
installation/mods_MarcMentat/2012/Mentat_menus/job_run.ms
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2739
installation/mods_MarcMentat/2012/Mentat_menus/job_run.ms.org
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52
installation/mods_MarcMentat/2013.1/Marc_tools/comp_damask
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTRAN $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
installation/mods_MarcMentat/2013.1/Marc_tools/comp_damask_h
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTHIGH $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
installation/mods_MarcMentat/2013.1/Marc_tools/comp_damask_hmp
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTHIGHMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
installation/mods_MarcMentat/2013.1/Marc_tools/comp_damask_l
View File

@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTLOW $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
installation/mods_MarcMentat/2013.1/Marc_tools/comp_damask_lmp
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@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTRANLOWMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

52
installation/mods_MarcMentat/2013.1/Marc_tools/comp_damask_mp
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@ -1,52 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
usernoext=$user
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
# add BLAS options for linking
BLAS="%BLAS%"
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$DFORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$BLAS \
$SYSLIBS || \
{
echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
/bin/rm $DIRJOB/*.mod

41
installation/mods_MarcMentat/2013.1/Marc_tools/comp_user.original
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@ -1,41 +0,0 @@
#!/bin/ksh
# 1st arg: $DIR
# 2nd arg: $DIRJOB
# 3rd arg: $user
# 4th arg: $program
DIR=$1
user=$3
program=$4
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user.f on host `hostname`"
echo "program: $program"
$FORTRAN $user.f || \
{
echo "$0: compile failed for $user.f"
exit 1
}
/bin/rm $program 2>/dev/null
userobj=$user.o
$LOAD ${program} $DIR/lib/main.o\
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
${userobj-} \
$DIR/lib/srclib.a \
$MNFLIBS \
$MDUSER \
../lib/mdsrc.a \
../lib/mcvfit.a \
$STUBS \
${SOLVERLIBS} \
$TKLIBS \
$MRCLIBS \
$METISLIBS \
$SYSLIBS || \
{
echo "$0: link failed for $user.o on host `hostname`"
exit 1
}
/bin/rm $userobj

8
installation/mods_MarcMentat/2013.1/Mentat_bin/kill4
View File

@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2013.1/Mentat_bin/kill5
View File

@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

8
installation/mods_MarcMentat/2013.1/Mentat_bin/kill6
View File

@ -1,8 +0,0 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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