restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing
makefile now calls compiler with lot of warning flags
This commit is contained in:
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37ac7bf1b4
commit
1cc2315954
File diff suppressed because it is too large
Load Diff
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@ -21,11 +21,10 @@
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!##############################################################
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!##############################################################
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MODULE FEsolving
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MODULE FEsolving
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!##############################################################
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!##############################################################
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use prec, only: pInt,pReal
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use prec, only: pInt,pReal
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implicit none
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implicit none
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integer(pInt) :: cycleCounter = 0_pInt, theInc = -1_pInt, restartReadInc = 0_pInt
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integer(pInt) :: cycleCounter = 0_pInt, theInc = -1_pInt, restartInc = 1_pInt
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real(pReal) :: theTime = 0.0_pReal, theDelta = 0.0_pReal
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real(pReal) :: theTime = 0.0_pReal, theDelta = 0.0_pReal
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logical :: lastIncConverged = .false.,outdatedByNewInc = .false.,outdatedFFN1 = .false.,terminallyIll = .false.
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logical :: lastIncConverged = .false.,outdatedByNewInc = .false.,outdatedFFN1 = .false.,terminallyIll = .false.
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logical :: symmetricSolver = .false.
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logical :: symmetricSolver = .false.
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@ -46,6 +45,7 @@
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!***********************************************************
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!***********************************************************
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subroutine FE_init()
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subroutine FE_init()
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use, intrinsic :: iso_fortran_env
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use prec, only: pInt
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use prec, only: pInt
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use debug, only: debug_verbosity
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use debug, only: debug_verbosity
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use DAMASK_interface
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use DAMASK_interface
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@ -55,7 +55,7 @@
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integer(pInt), parameter :: fileunit = 222
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integer(pInt), parameter :: fileunit = 222
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integer(pInt), parameter :: maxNchunks = 6
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integer(pInt), parameter :: maxNchunks = 6
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integer(pInt):: i, start = 0_pInt, length=0_pInt
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integer(pInt):: i, start = 0_pInt, length=0_pInt
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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integer(pInt), dimension(1_pInt+2_pInt*maxNchunks) :: positions
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character(len=64) tag
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character(len=64) tag
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character(len=1024) line, commandLine
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character(len=1024) line, commandLine
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@ -74,27 +74,29 @@
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if(start /= 0_pInt) then ! found something
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if(start /= 0_pInt) then ! found something
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length = verify(commandLine(start:len(commandLine)),'0123456789',.false.) ! where is first non number after argument?
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length = verify(commandLine(start:len(commandLine)),'0123456789',.false.) ! where is first non number after argument?
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read(commandLine(start:start+length),'(I12)') restartReadInc ! read argument
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read(commandLine(start:start+length),'(I12)') restartInc ! read argument
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restartReadInc = restartReadInc - 1_pInt ! command line argument is inc to compute
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restartRead = restartInc > 0_pInt
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restartRead = max(0_pInt,restartReadInc) > 0_pInt
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if(restartInc <= 0_pInt) then
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if(restartReadInc < 0_pInt) call IO_warning(warning_ID=34_pInt)
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call IO_warning(warning_ID=34_pInt)
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restartInc = 1_pInt
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endif
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endif
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endif
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else
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else
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rewind(fileunit)
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rewind(fileunit)
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do
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do
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read (fileunit,'(a1024)',END=100) line
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read (fileunit,'(a1024)',END=100) line
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positions = IO_stringPos(line,maxNchunks)
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
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tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
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select case(tag)
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select case(tag)
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case ('solver')
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case ('solver')
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read (fileunit,'(a1024)',END=100) line ! next line
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read (fileunit,'(a1024)',END=100) line ! next line
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positions = IO_stringPos(line,maxNchunks)
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positions = IO_stringPos(line,maxNchunks)
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symmetricSolver = (IO_intValue(line,positions,2) /= 1_pInt)
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symmetricSolver = (IO_intValue(line,positions,2_pInt) /= 1_pInt)
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case ('restart')
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case ('restart')
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read (fileunit,'(a1024)',END=100) line ! next line
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read (fileunit,'(a1024)',END=100) line ! next line
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positions = IO_stringPos(line,maxNchunks)
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positions = IO_stringPos(line,maxNchunks)
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restartWrite = iand(IO_intValue(line,positions,1),1_pInt) > 0_pInt
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restartWrite = iand(IO_intValue(line,positions,1_pInt),1_pInt) > 0_pInt
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restartRead = iand(IO_intValue(line,positions,1),2_pInt) > 0_pInt
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restartRead = iand(IO_intValue(line,positions,1_pInt),2_pInt) > 0_pInt
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case ('*restart')
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case ('*restart')
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do i=2,positions(1)
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do i=2,positions(1)
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restartWrite = (IO_lc(IO_StringValue(line,positions,i)) == 'write') .or. restartWrite
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restartWrite = (IO_lc(IO_StringValue(line,positions,i)) == 'write') .or. restartWrite
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@ -109,7 +111,7 @@
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enddo
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enddo
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endif
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endif
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else
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else
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call IO_error(101, ext_msg=FEmodelGeometry) ! cannot open input file
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call IO_error(101_pInt, ext_msg=FEmodelGeometry) ! cannot open input file
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endif
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endif
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100 close(fileunit)
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100 close(fileunit)
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@ -119,27 +121,27 @@
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do
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do
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read (fileunit,'(a1024)',END=200) line
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read (fileunit,'(a1024)',END=200) line
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positions = IO_stringPos(line,maxNchunks)
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positions = IO_stringPos(line,maxNchunks)
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if ( IO_lc(IO_stringValue(line,positions,1)) == 'restart' .and. &
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if ( IO_lc(IO_stringValue(line,positions,1_pInt)) == 'restart' .and. &
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IO_lc(IO_stringValue(line,positions,2)) == 'file' .and. &
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IO_lc(IO_stringValue(line,positions,2_pInt)) == 'file' .and. &
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IO_lc(IO_stringValue(line,positions,3)) == 'job' .and. &
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IO_lc(IO_stringValue(line,positions,3_pInt)) == 'job' .and. &
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IO_lc(IO_stringValue(line,positions,4)) == 'id' ) &
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IO_lc(IO_stringValue(line,positions,4_pInt)) == 'id' ) &
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FEmodelGeometry = IO_StringValue(line,positions,6)
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FEmodelGeometry = IO_StringValue(line,positions,6_pInt)
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enddo
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enddo
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elseif (FEsolver == 'Abaqus' .and. IO_open_inputFile(fileunit,FEmodelGeometry)) then
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elseif (FEsolver == 'Abaqus' .and. IO_open_inputFile(fileunit,FEmodelGeometry)) then
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rewind(fileunit)
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rewind(fileunit)
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do
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do
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read (fileunit,'(a1024)',END=200) line
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read (fileunit,'(a1024)',END=200) line
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positions = IO_stringPos(line,maxNchunks)
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positions = IO_stringPos(line,maxNchunks)
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if ( IO_lc(IO_stringValue(line,positions,1))=='*heading') then
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if ( IO_lc(IO_stringValue(line,positions,1_pInt))=='*heading') then
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read (fileunit,'(a1024)',END=200) line
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read (fileunit,'(a1024)',END=200) line
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positions = IO_stringPos(line,maxNchunks)
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positions = IO_stringPos(line,maxNchunks)
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FEmodelGeometry = IO_StringValue(line,positions,1)
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FEmodelGeometry = IO_StringValue(line,positions,1_pInt)
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endif
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endif
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enddo
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enddo
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elseif (FEsolver == 'Spectral') then
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elseif (FEsolver == 'Spectral') then
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!do nothing
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!do nothing
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else
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else
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call IO_error(106) ! cannot open file for old job info
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call IO_error(106_pInt) ! cannot open file for old job info
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endif
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endif
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endif
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endif
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133
code/makefile
133
code/makefile
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@ -33,8 +33,9 @@
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# SUFFIX = arbitrary suffix
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# SUFFIX = arbitrary suffix
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# STANDARD_CHECK = checking for Fortran 2008, compiler dependend
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# STANDARD_CHECK = checking for Fortran 2008, compiler dependend
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########################################################################################
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########################################################################################
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# Here are some useful debugging switches. Switch on by uncommenting the #SUFFIX line at the end of this section:
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# Here are some useful debugging switches for ifort. Switch on by uncommenting the #SUFFIX line at the end of this section:
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# information on http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/
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# information on http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/
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# check if an array index is too small (<1) or too large!
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# check if an array index is too small (<1) or too large!
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DEBUG1 =-check bounds -g
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DEBUG1 =-check bounds -g
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@ -54,9 +55,12 @@ DEBUG5 =-warn all
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#set precision (check for missing _pInt and _pReal)
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#set precision (check for missing _pInt and _pReal)
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DEBUG6= -real-size 32 -integer-size 16
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DEBUG6= -real-size 32 -integer-size 16
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#or one of those 16/32/64/128 (= 2,4,8,16 bytes)
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#or one of those 16/32/64/128 (= 2,4,8,16 bytes)
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#SUFFIX =$(DEBUG1) $(DEBUG2) $(DEBUG3) $(DEBUG4) $(DEBUG5) $(DEBUG6)
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# Here are some useful debugging switches for gfortran
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# fcheck-bounds: eqv to DEBUG1 of ifort
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#SUFFIX =$(DEBUG1) $(DEBUG2) $(DEBUG3)
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########################################################################################
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########################################################################################
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#auto values will be set by setup_code.py
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#auto values will be set by setup_code.py
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@ -70,6 +74,12 @@ COMPILERNAME ?= $(F90)
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OPENMP ?= ON
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OPENMP ?= ON
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OPTIMIZATION ?= DEFENSIVE
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OPTIMIZATION ?= DEFENSIVE
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ifeq "$(F90)" "ifort"
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ARCHIVE_COMMAND :=xiar
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else
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ARCHIVE_COMMAND :=ar
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endif
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ifeq "$(OPTIMIZATION)" "OFF"
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ifeq "$(OPTIMIZATION)" "OFF"
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OPTI := OFF
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OPTI := OFF
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MAXOPTI := OFF
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MAXOPTI := OFF
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@ -93,40 +103,40 @@ MAXOPTI := DEFENSIVE
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endif
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endif
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ifeq "$(PORTABLE)" "FALSE"
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ifeq "$(PORTABLE)" "FALSE"
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PORTABLE_SWITCH = -msse3
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PORTABLE_SWITCH =-msse3
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endif
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endif
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# settings for multicore support
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# settings for multicore support
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ifeq "$(OPENMP)" "ON"
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ifeq "$(OPENMP)" "ON"
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OPENMP_FLAG_ifort = -openmp -openmp-report0 -parallel
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OPENMP_FLAG_ifort =-openmp -openmp-report0 -parallel
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OPENMP_FLAG_gfortran = -fopenmp
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OPENMP_FLAG_gfortran =-fopenmp
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ACML_ARCH =_mp
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ACML_ARCH =_mp
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LIBRARIES += -lfftw3_threads -lpthread
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LIBRARIES +=-lfftw3_threads -lpthread
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endif
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endif
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LIBRARIES += -lfftw3
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LIBRARIES +=-lfftw3
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LIB_DIRS += -L$(FFTWROOT)/lib
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LIB_DIRS +=-L$(FFTWROOT)/lib
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ifdef IKMLROOT
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ifdef IKMLROOT
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LIBRARIES += -mkl
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LIBRARIES +=-mkl
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else
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else
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ifdef ACMLROOT
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ifdef ACMLROOT
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LIB_DIRS += -L$(ACMLROOT)/$(F90)64$(ACML_ARCH)/lib
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LIB_DIRS +=-L$(ACMLROOT)/$(F90)64$(ACML_ARCH)/lib
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LIBRARIES += -lacml$(ACML_ARCH)
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LIBRARIES +=-lacml$(ACML_ARCH)
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else
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else
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ifdef LAPACKROOT
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ifdef LAPACKROOT
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LIB_DIRS += -L$(LAPACKROOT)/lib64 -L$(LAPACKROOT)/lib
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LIB_DIRS +=-L$(LAPACKROOT)/lib64 -L$(LAPACKROOT)/lib
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LIBRARIES += -llapack
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LIBRARIES +=-llapack
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endif
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endif
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endif
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endif
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endif
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endif
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ifdef STANDARD_CHECK
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ifdef STANDARD_CHECK
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STANDARD_CHECK_ifort = $(STANDARD_CHECK)
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STANDARD_CHECK_ifort =$(STANDARD_CHECK)
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STANDARD_CHECK_gfortran = $(STANDARD_CHECK)
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STANDARD_CHECK_gfortran =$(STANDARD_CHECK)
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endif
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endif
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STANDARD_CHECK_ifort ?= -stand f08
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STANDARD_CHECK_ifort ?=-stand f08 -standard-semantics
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STANDARD_CHECK_gfortran ?=-std=f2008
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STANDARD_CHECK_gfortran ?=-std=f2008
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@ -138,16 +148,89 @@ OPTIMIZATION_AGGRESSIVE_ifort :=-O3 $(PORTABLE_SWITCH) -ip -static -fp-model
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OPTIMIZATION_AGGRESSIVE_gfortran :=-O3 $(PORTABLE_SWITCH) -ffast-math -funroll-loops -ftree-vectorize
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OPTIMIZATION_AGGRESSIVE_gfortran :=-O3 $(PORTABLE_SWITCH) -ffast-math -funroll-loops -ftree-vectorize
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COMPILE_OPTIONS_ifort := -fpp -diag-disable 8291,8290,5268
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COMPILE_OPTIONS_ifort :=-fpp\
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#warning ID 9291,8290:
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-diag-enable sc3\
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#warning ID 5268: Extension to standard: The text exceeds right hand column allowed on the line (we have only comments there)
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-diag-disable 8291,8290,5268\
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COMPILE_OPTIONS_gfortran := -xf95-cpp-input -ffree-line-length-132 -fno-range-check
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-warn declarations\
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-warn general\
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-warn usage
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#alignments: Determines whether warnings occur for data that is not naturally aligned.
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#declarations: Determines whether warnings occur for any undeclared names.
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#errors: Determines whether warnings are changed to errors.
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#general: Determines whether warning messages and informational messages are issued by the compiler.
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#ignore_loc: Determines whether warnings occur when %LOC is stripped from an actual argument.
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#interfaces: Determines whether the compiler checks the interfaces of all SUBROUTINEs called and FUNCTIONs invoked in your compilation against an external set of interface blocks.
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#stderrors: Determines whether warnings about Fortran standard violations are changed to errors.
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#truncated_source: Determines whether warnings occur when source exceeds the maximum column width in fixed-format files.
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#uncalled: Determines whether warnings occur when a statement function is never called
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#unused: Determines whether warnings occur for declared variables that are never used.
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#usage: Determines whether warnings occur for questionable programming practices.
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#-fpp: preprocessor
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#-diag-disable: disables warnings, where
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# warning ID 9291:
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# warning ID 8290:
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# warning ID 5268: The text exceeds right hand column allowed on the line (we have only comments there)
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COMPILE_OPTIONS_gfortran :=-xf95-cpp-input\
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-ffree-line-length-132\
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-fno-range-check\
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-fimplicit-none\
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-pedantic\
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-Warray-bounds\
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-Wunused-parameter\
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-Wampersand\
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-Wno-tabs\
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-Wcharacter-truncation\
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-Wintrinsic-shadow\
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-Waliasing\
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-Wconversion\
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-Wsurprising\
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-Wunused-value\
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-Wunderflow
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#-xf95-cpp-input: preprocessor
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#-ffree-line-length-132: restrict line length to the standard 132 characters
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#-fno-range-check: disables checking if result can be represented by variable. Needs to be set to enable DAMASK_NaN
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#-fimplicit-none: assume "implicit-none" even if not present in source
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#-pedantic: more strict on standard, enables some of the warnings below
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#-Warray-bounds: checks if array reference is out of bounds at compile time. use -fcheck-bounds to also check during runtime
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#-Wunused-parameter: find usused variables with "parameter" attribute
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#-Wampersand: checks if a character expression is continued proberly by an ampersand at the end of the line and at the beginning of the new line
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#-Wno-tabs: do not allow tabs in source
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#-Wcharacter-truncation: warn if character expressions (strings) are truncated
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#-Wintrinsic-shadow: warn if a user-defined procedure or module procedure has the same name as an intrinsic
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|
#-Waliasing: warn about possible aliasing of dummy arguments. Specifically, it warns if the same actual argument is associated with a dummy argument with "INTENT(IN)" and a dummy argument with "INTENT(OUT)" in a call with an explicit interface.
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#-Wconversion: warn about implicit conversions between different type
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#-Wsurprising: warn when "suspicious" code constructs are encountered. While technically legal these usually indicate that an error has been made.
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#-Wunused-value:
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#-Wunderflow: produce a warning when numerical constant expressions are encountered, which yield an UNDERFLOW during compilation
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#MORE OPTIONS
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# only for gfortran 4.6:
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#-Wsuggest-attribute=const
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#-Wsuggest-attribute=noreturn
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#-Wsuggest-attribute=pure
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# too many warnings because we have comments beyond character 132:
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#-Wline-truncation
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# warnings because of "flush" is not longer in the standard, but still an intrinsic fuction of the compilers:
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#-Wintrinsic-std
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|
# warnings because we have many temporary arrays (performance issue?):
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|
#-Warray-temporaries
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# -Wimplicit-interface
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# -pedantic-errors
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# -fmodule-private
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|
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COMPILE =$(OPENMP_FLAG_$(F90)) $(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(OPTI)_$(F90)) -c
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COMPILE =$(OPENMP_FLAG_$(F90)) $(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(OPTI)_$(F90)) -c
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COMPILE_MAXOPTI =$(OPENMP_FLAG_$(F90)) $(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) -c
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COMPILE_MAXOPTI =$(OPENMP_FLAG_$(F90)) $(COMPILE_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) -c
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|
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|
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||||||
DAMASK_spectral.exe: DAMASK_spectral.o CPFEM.a
|
DAMASK_spectral.exe: DAMASK_spectral.o CPFEM.a
|
||||||
$(PREFIX) $(COMPILERNAME) ${OPENMP_FLAG_${F90}} -o DAMASK_spectral.exe DAMASK_spectral.o CPFEM.a \
|
$(PREFIX) $(COMPILERNAME) ${OPENMP_FLAG_${F90}} -o DAMASK_spectral.exe DAMASK_spectral.o CPFEM.a \
|
||||||
constitutive.a advanced.a basics.a $(LIB_DIRS) $(LIBRARIES)
|
constitutive.a advanced.a basics.a $(LIB_DIRS) $(LIBRARIES)
|
||||||
|
@ -158,7 +241,7 @@ DAMASK_spectral.o: DAMASK_spectral.f90 CPFEM.o
|
||||||
|
|
||||||
|
|
||||||
CPFEM.a: CPFEM.o
|
CPFEM.a: CPFEM.o
|
||||||
ar rc CPFEM.a homogenization.o homogenization_RGC.o homogenization_isostrain.o crystallite.o CPFEM.o constitutive.o
|
$(ARCHIVE_COMMAND) rc CPFEM.a homogenization.o homogenization_RGC.o homogenization_isostrain.o crystallite.o CPFEM.o constitutive.o
|
||||||
|
|
||||||
CPFEM.o: CPFEM.f90 homogenization.o
|
CPFEM.o: CPFEM.f90 homogenization.o
|
||||||
$(PREFIX) $(COMPILERNAME) $(COMPILE) CPFEM.f90 $(SUFFIX)
|
$(PREFIX) $(COMPILERNAME) $(COMPILE) CPFEM.f90 $(SUFFIX)
|
||||||
|
@ -178,7 +261,7 @@ crystallite.o: crystallite.f90 constitutive.a
|
||||||
|
|
||||||
|
|
||||||
constitutive.a: constitutive.o
|
constitutive.a: constitutive.o
|
||||||
ar rc constitutive.a constitutive.o constitutive_titanmod.o constitutive_nonlocal.o constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o basics.a advanced.a
|
$(ARCHIVE_COMMAND) rc constitutive.a constitutive.o constitutive_titanmod.o constitutive_nonlocal.o constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o basics.a advanced.a
|
||||||
|
|
||||||
constitutive.o: constitutive.f90 constitutive_titanmod.o constitutive_nonlocal.o constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o
|
constitutive.o: constitutive.f90 constitutive_titanmod.o constitutive_nonlocal.o constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o
|
||||||
$(PREFIX) $(COMPILERNAME) $(COMPILE) constitutive.f90 $(SUFFIX)
|
$(PREFIX) $(COMPILERNAME) $(COMPILE) constitutive.f90 $(SUFFIX)
|
||||||
|
@ -201,7 +284,7 @@ constitutive_phenopowerlaw.o: constitutive_phenopowerlaw.f90 basics.a advanced.a
|
||||||
|
|
||||||
|
|
||||||
advanced.a: lattice.o
|
advanced.a: lattice.o
|
||||||
ar rc advanced.a FEsolving.o mesh.o material.o lattice.o
|
$(ARCHIVE_COMMAND) rc advanced.a FEsolving.o mesh.o material.o lattice.o
|
||||||
|
|
||||||
lattice.o: lattice.f90 material.o
|
lattice.o: lattice.f90 material.o
|
||||||
$(PREFIX) $(COMPILERNAME) $(COMPILE) lattice.f90 $(SUFFIX)
|
$(PREFIX) $(COMPILERNAME) $(COMPILE) lattice.f90 $(SUFFIX)
|
||||||
|
@ -218,7 +301,7 @@ FEsolving.o: FEsolving.f90 basics.a
|
||||||
|
|
||||||
|
|
||||||
basics.a: math.o
|
basics.a: math.o
|
||||||
ar rc basics.a math.o debug.o numerics.o IO.o DAMASK_spectral_interface.o prec.o
|
$(ARCHIVE_COMMAND) rc basics.a math.o debug.o numerics.o IO.o DAMASK_spectral_interface.o prec.o
|
||||||
|
|
||||||
math.o: math.f90 debug.o
|
math.o: math.f90 debug.o
|
||||||
$(PREFIX) $(COMPILERNAME) $(COMPILE) math.f90 $(SUFFIX)
|
$(PREFIX) $(COMPILERNAME) $(COMPILE) math.f90 $(SUFFIX)
|
||||||
|
|
Loading…
Reference in New Issue