Initial hpc batch submission script and clean whitespace in umat.
This commit is contained in:
jgrogan
parent
e19f869a1e
commit
684f81980d
3 changed files with 1032 additions and 1005 deletions
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@ -1,3 +1,4 @@
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Journal Article: https://zenodo.org/records/11184080
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Journal Article: https://doi.org/10.1016/j.jmbbm.2014.01.007
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Supporting Data - including original software versions: https://zenodo.org/records/11184080
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Supporting Data - including original software versions: https://doi.org/10.1016/j.jmbbm.2014.01.007
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@ -4,7 +4,7 @@
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3 nstatv,props,nprops,coords,drot,pnewdt,celent,
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4 dfgrd0,dfgrd1,noel,npt,layer,kspt,kstep,kinc)
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c
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include 'aba_param.inc'
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c include 'aba_param.inc'
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c modified from huang umat- jg:20/07/12
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c *******************************************************************
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c - only suitable for finite deformation isotropic elasticity
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@ -29,7 +29,8 @@ c *******************************************************************
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2 dgamod(18),dtauod(18),dgspod(18),dspnro(3,18),
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3 dspdro(3,18),dhdgdg(18,18),rwkdir(3,24),rwknor(3,24),
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3 indxL(3),termd(3),termn(3),gamma(18),tauslpL(18)
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C----- Elastic matrix in GLOBAL system
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c
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c----- Elastic matrix in GLOBAL system
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gshear = props(1)/(2.*(1.+props(2)))
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e11 = 2.*gshear*(one-props(2))/(1.-2.*props(2))
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e12 = 2.*gshear*props(2)/(1.-2.*props(2))
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@ -41,7 +42,7 @@ C----- Elastic matrix in GLOBAL system
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end do
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d(j+3,j+3) = gshear
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end do
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c------ Crystal Type:
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c------Crystal Type:
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ictype=nint(props(9))
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if(ictype == 1)then
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c FCC
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@ -86,7 +87,7 @@ C----- Increment of spin associated with the material element: DSPIN
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dspin(1) = trm0(2,1)-trm0(1,2)
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dspin(2) = trm0(1,3)-trm0(3,1)
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dspin(3) = trm0(3,2)-trm0(2,3)
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C----- Increment of dilatational strain: DEV
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C-----Increment of dilatational strain: DEV
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dev = zero
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do i = 1,ndi
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dev = dev+dstran(i)
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@ -107,14 +108,14 @@ c----- generating all possible slip directions for fcc
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rwkdir(1,6) = -rwkdir(1,6)
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rwkdir(2,4) = -rwkdir(2,4)
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rwkdir(3,5) = -rwkdir(3,5)
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c----- generating all possible slip planes for fcc
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c-----generating all possible slip planes for fcc
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rwknor = 1./sqrt(3.)
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do i = 1,3
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do j = 1,4
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if (j.eq.i+1)rwknor(i,j) = -rwknor(i,j)
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end do
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end do
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c------ Generating all slip systems for FCC
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c------Generating all slip systems for FCC
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nslip = 0
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do j = 1,4
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do i = 1,6
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@ -132,7 +133,7 @@ c------ Generating all slip systems for FCC
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end do
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end do
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else
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c----- generating slip directions and normals for hcp-basal
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c-----generating slip directions and normals for hcp-basal
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rwkdir = 0.
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rwknor = 0.
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angle = acos(-1.)/3.
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@ -153,7 +154,7 @@ c----- generating slip directions and normals for hcp-basal
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slpnor(k,i) = rwknor(k,i)
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enddo
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enddo
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c----- generating slip directions and normals for hcp-prismatic
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c-----generating slip directions and normals for hcp-prismatic
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rwknor = 0.
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rwknor(1,1) = 0.
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rwknor(2,1) = -1.
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@ -205,7 +206,7 @@ c slip normals
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rwknor(1,j) = -rwknor(1,j-3)
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rwknor(2,j) = -rwknor(2,j-3)
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enddo
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rlength=sqrt(3.*(1.+aspect*aspect))
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rlength=sqrt(3.*(1.+aspect*aspect)
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do j = 1,6
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do i = 1,3
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rwknor(i,j) = rwknor(i,j)/rlength
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@ -269,8 +270,8 @@ c slip normals
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enddo
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endif
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endif
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C----- Unit vectors in slip dirs and unit norms-Global system
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c----- Generate rotation matrix
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C-----Unit vectors in slip dirs and unit norms-Global system
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c-----Generate rotation matrix
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do i = 1,3
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term(i,1) = props(i+2)
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term(i,2) = props(i+5)
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@ -303,7 +304,7 @@ c--- Rotate slip normals and directions to global system
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slpnor(i,j) = termn(i)
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end do
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end do
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C----- Get Slip deformation tensor: SLPDEF (Schmid factors)
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C-----Get Slip deformation tensor: SLPDEF (Schmid factors)
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do j=1,nslptl
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slpdef(1,j)=slpdir(1,j)*slpnor(1,j)
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slpdef(2,j)=slpdir(2,j)*slpnor(2,j)
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@ -315,7 +316,7 @@ C----- Get Slip deformation tensor: SLPDEF (Schmid factors)
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slpdef(6,j)=slpdir(2,j)*slpnor(3,j)
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1 +slpdir(3,j)*slpnor(2,j)
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end do
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C----- Store normals and directions
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C-----Store normals and directions
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statev(nstatv)=nslptl
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idnor=3*nslptl
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iddir=6*nslptl
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@ -327,7 +328,7 @@ C----- Store normals and directions
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statev(iddir)=slpdir(i,j)
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end do
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end do
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C----- Initial value of the current strength for all slip systems
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C-----Initial value of the current strength for all slip systems
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do j=1,nslptl
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if(ictype == 1)then
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statev(j)=props(10)
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@ -343,12 +344,12 @@ C----- Initial value of the current strength for all slip systems
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endif
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endif
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enddo
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C----- Initial value of shear strain in slip systems
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C-----Initial value of shear strain in slip systems
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do i=1,nslptl
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statev(nslptl+i)=0.
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end do
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statev(9*nslptl+1)=0.
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C----- Initial value of the resolved shear stress in slip systems
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C-----Initial value of the resolved shear stress in slip systems
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do i=1,nslptl
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term1=0.
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do j=1,ntens
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@ -361,7 +362,7 @@ C----- Initial value of the resolved shear stress in slip systems
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statev(2*nslptl+i)=term1
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end do
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else
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C----- Current stress state
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C-----Current stress state
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idnor=3*nslptl
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iddir=6*nslptl
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do j=1,nslptl
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@ -372,7 +373,7 @@ C----- Current stress state
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slpdir(i,j)=statev(iddir)
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end do
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end do
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C----- Slip deformation tensor: SLPDEF (Schmid factors)
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C-----Slip deformation tensor: SLPDEF (Schmid factors)
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do j=1,nslptl
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slpdef(1,j)=slpdir(1,j)*slpnor(1,j)
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slpdef(2,j)=slpdir(2,j)*slpnor(2,j)
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@ -385,7 +386,7 @@ C----- Slip deformation tensor: SLPDEF (Schmid factors)
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1 +slpdir(3,j)*slpnor(2,j)
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end do
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end if
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C----- Slip spin tensor: SLPSPN
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C-----Slip spin tensor: SLPSPN
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do j=1,nslptl
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slpspn(1,j)=0.5*(slpdir(1,j)*slpnor(2,j)-
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2 slpdir(2,j)*slpnor(1,j))
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@ -394,7 +395,7 @@ C----- Slip spin tensor: SLPSPN
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slpspn(3,j)=0.5*(slpdir(2,j)*slpnor(3,j)-
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2 slpdir(3,j)*slpnor(2,j))
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end do
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C----- Double dot product of elastic moduli tensor with the slip
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C-----Double dot product of elastic moduli tensor with the slip
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C deformation tensor
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do j=1,nslptl
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do i=1,6
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@ -434,7 +435,7 @@ C deformation tensor
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ddemsd(5,j)=ddemsd(5,j)+slpspn(1,j)*stress(ndi+3)
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end if
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end do
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C----- Shear strain-rate in a slip system at the start of increment:
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C-----Shear strain-rate in a slip system at the start of increment:
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do i=1,nslptl
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tauslp=statev(2*nslptl+i)
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if(i>=13.and.tauslp<=0)then
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@ -536,7 +537,7 @@ C----- Solve the increment of shear strain in a slip system
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workst(i,i)=workst(i,i)+1.
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end do
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call ludcmp (workst, nslptl, 18, indx, ddcmp)
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c----- increment of shear strain in a slip system: dgamma
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c-----increment of shear strain in a slip system: dgamma
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term1=theta*dtime
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do i=1,nslptl
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if (nitrtn.eq.0) then
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@ -568,11 +569,11 @@ c----- increment of shear strain in a slip system: dgamma
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do i=1,nslptl
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dgamma(i)=dgamma(i)+dgamod(i)
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end do
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c----- update the shear strain in a slip system:
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c-----update the shear strain in a slip system:
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do i=1,nslptl
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statev(nslptl+i)=statev(nslptl+i)+dgamma(i)-dgamod(i)
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end do
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C----- Increment of current strength in a slip system: DGSLIP
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C-----Increment of current strength in a slip system: DGSLIP
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do i=1,nslptl
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dgslip(i)=0.
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do j=1,nslptl
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@ -583,7 +584,7 @@ C----- Update the current strength in a slip system:
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do i=1,nslptl
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statev(i)=statev(i)+dgslip(i)-dgspod(i)
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end do
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C----- Increment of strain associated with lattice stretching: DELATS
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C-----Increment of strain associated with lattice stretching: DELATS
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do j=1,6
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delats(j)=0.
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end do
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@ -599,7 +600,7 @@ C----- Increment of strain associated with lattice stretching: DELATS
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delats(j+3)=delats(j+3)-slpdef(j+3,i)*dgamma(i)
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end do
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end do
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C----- Increment of deformation gradient associated with lattice stretching
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C-----Increment of deformation gradient associated with lattice stretching
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do j=1,3
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do i=1,3
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if (i.eq.j) then
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@ -629,18 +630,18 @@ C----- Increment of deformation gradient associated with lattice stretching
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end if
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end do
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end do
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C----- Increment of resolved shear stress in a slip system: DTAUSP
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C-----Increment of resolved shear stress in a slip system: DTAUSP
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do i=1,nslptl
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dtausp(i)=0.
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do j=1,6
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dtausp(i)=dtausp(i)+ddemsd(j,i)*delats(j)
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end do
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end do
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C----- Update the resolved shear stress in a slip system:
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C-----Update the resolved shear stress in a slip system:
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do i=1,nslptl
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statev(2*nslptl+i)=statev(2*nslptl+i)+dtausp(i)-dtauod(i)
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end do
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C----- Increment of stress: DSTRES
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C-----Increment of stress: DSTRES
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do i=1,ntens
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dstres(i)=-stress(i)*dev
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end do
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@ -670,11 +671,11 @@ C----- Increment of stress: DSTRES
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end do
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end do
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end if
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C----- Update the stress: STRESS
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C-----Update the stress: STRESS
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do i=1,ntens
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stress(i)=stress(i)+dstres(i)-dsold(i)
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end do
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C----- Increment of normal to a slip plane and a slip direction
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C-----Increment of normal to a slip plane and a slip direction
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do j=1,nslptl
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do i=1,3
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dspnor(i,j)=0.
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@ -685,7 +686,7 @@ C----- Increment of normal to a slip plane and a slip direction
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end do
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end do
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end do
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C----- Update the normal to a slip plane and a slip direction
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C-----Update the normal to a slip plane and a slip direction
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idnor=3*nslptl
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iddir=6*nslptl
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do j=1,nslptl
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@ -696,7 +697,7 @@ C----- Update the normal to a slip plane and a slip direction
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statev(iddir)=statev(iddir)+dspdir(i,j)-dspdro(i,j)
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end do
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end do
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C----- Derivative of shear strain increment in a slip system w.r.t.
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C-----Derivative of shear strain increment in a slip system w.r.t.
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C strain increment: DDGDDE
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term1=theta*dtime
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do i=1,ntens
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@ -718,8 +719,8 @@ C strain increment: DDGDDE
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end do
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call lubksb (workst, nslptl, 18, indx, ddgdde(1,i))
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end do
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C----- Derivative of stress increment w.r.t. strain increment
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C----- Jacobian matrix: elastic part
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C-----Derivative of stress increment w.r.t. strain increment
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C-----Jacobian matrix: elastic part
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do j=1,ntens
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do i=1,ntens
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ddsdde(i,j)=0.
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@ -743,7 +744,7 @@ C----- Jacobian matrix: elastic part
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end do
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end do
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end if
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C----- Jacobian matrix: plastic part (slip)
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C-----Jacobian matrix: plastic part (slip)
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do j=1,ndi
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do i=1,ndi
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do k=1,nslptl
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@ -774,7 +775,7 @@ C----- Jacobian matrix: plastic part (slip)
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ddsdde(i,j)=ddsdde(i,j)/(1.+dev)
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end do
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end do
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C----- Save solutions (without iteration):
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C-----Save solutions (without iteration):
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if (nitrtn.eq.0) then
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idnor=3*nslptl
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iddir=6*nslptl
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@ -803,7 +804,7 @@ C----- Save solutions (without iteration):
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end do
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end do
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end if
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C----- Increments of stress DSOLD, and solution dependent state
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C-----Increments of stress DSOLD, and solution dependent state
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C variables DGAMOD, DTAUOD, DGSPOD, DSPNRO, DSPDRO (for the next
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C iteration)
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do i=1,ntens
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@ -818,7 +819,7 @@ C iteration)
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dspdro(i,j)=dspdir(i,j)
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end do
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end do
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C----- Check if the iteration solution converges
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C-----Check if the iteration solution converges
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idback=0
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do j=1,nslptl
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tauslp=statev(2*nslptl+j)
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@ -910,7 +911,7 @@ C TWIN
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end do
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go to 1000
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elseif (nitrtn.ge.itrmax) then
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C----- Solution not converge within maximum number of iteration (the
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C-----Solution not converge within maximum number of iteration (the
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C solution without iteration will be used)
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do j=1,ntens
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stress(j)=stres1(j)
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@ -932,7 +933,7 @@ C solution without iteration will be used)
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end do
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end do
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end if
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C----- Total cumulative shear strains on all slip systems (sum of the
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C-----Total cumulative shear strains on all slip systems (sum of the
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C absolute values of shear strains in all slip systems)
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do i=1,nslptl
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statev(9*nslptl+1)=statev(9*nslptl+1)+abs(dgamma(i))
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@ -941,7 +942,7 @@ C absolute values of shear strains in all slip systems)
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end
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c----------------------------------------------------------------------
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subroutine ludcmp (a, n, np, indx, d)
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include 'aba_param.inc'
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c include 'aba_param.inc'
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parameter (nmax=200, tiny=1.0e-20)
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dimension a(np,np), indx(n), vv(nmax)
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d = 1.d0
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@ -996,7 +997,7 @@ c----------------------------------------------------------------------
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end
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C----------------------------------------------------------------------
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subroutine lubksb (a, n, np, indx, b)
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include 'aba_param.inc'
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c include 'aba_param.inc'
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dimension a(np,np), indx(n), b(n)
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ii = 0
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do i = 1,n
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25
JMBBM13b/batch_submission/lxp_system_test.sh
Normal file
25
JMBBM13b/batch_submission/lxp_system_test.sh
Normal file
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@ -0,0 +1,25 @@
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#!/bin/bash -l
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#SBATCH -J AbaqusUMatCheck
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#SBATCH -A myaccount
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#SBATCH --nodes=1
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#SBATCH --time=00:05:00
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#SBATCH -p cpu
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#SBATCH --qos test
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# disable multithreading. Please check both cases to see which gives better performance
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#SBATCH --hint=nomultithread
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#SBATCH --ntasks-per-node=128
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#SBATCH --cpus-per-task=1
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#SBATCH -o %x-%j.log
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### Load ABAQUS module
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module load abaqus/2023
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module load intel-compilers
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### Configure environment variables, need to unset SLURM's Global Task ID for ABAQUS's PlatformMPI to work
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unset SLURM_GTIDS
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### Set input file and job (file prefix) name here
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job_name=${SLURM_JOB_NAME}
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abaqus job=${job_name} input=CDIE_1E.inp user=UCrys_HCP_Only double=both interactive
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