convert compact.f90 float literals double precision and separte rhs and tdslv and added python code validataions to pycompact.py
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1674323816
2 changed files with 207 additions and 31 deletions
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@ -235,19 +235,21 @@
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SUBROUTINE stdlu(a,n,l)
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INTEGER :: n
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REAL(KIND=8) :: a(n),l(n)
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REAL(KIND=8), INTENT(IN) :: a(n)
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REAL(KIND=8), INTENT(OUT) :: l(n)
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REAL(KIND=8) :: d
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INTEGER :: i
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l(1)=1.0/a(1)
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l(1)=1.0d0/a(1)
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DO i=2,n
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d=a(i)-l(i-1)
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l(i)=1.0/d
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l(i)=1.0d0/d
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ENDDO
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END SUBROUTINE stdlu
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SUBROUTINE ptdlu(a,n,l,w)
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INTEGER :: n
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REAL(KIND=8) :: a,l(n),w(n)
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REAL(KIND=8), INTENT(OUT) :: a
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REAL(KIND=8), INTENT(OUT) :: l(n),w(n)
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INTEGER :: i
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REAL(KIND=8) :: aa(n),d
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@ -271,21 +273,19 @@
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l(n)=1./d
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END SUBROUTINE ptdlu
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SUBROUTINE dfnonp(n,h,x,dx,nd,dir)
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INTEGER,INTENT(IN) :: n,nd,dir
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SUBROUTINE rhs1np(n,h,x,dx,nd)
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INTEGER,INTENT(IN) :: n,nd
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REAL(KIND=8),INTENT(IN) :: h
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REAL(KIND=8),INTENT(IN),DIMENSION(nd,n) :: x
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REAL(KIND=8),INTENT(OUT),DIMENSION(nd,n) :: dx
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INTEGER :: i,j
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REAL(KIND=8) :: r1,r2,r3,a,b,c,h1,t1,t2,t3,t4
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h1=1.d0/h
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! print *, "dfnonp received (nd,n)", nd, n
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h1=1./h
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r1=7./3.
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r2=1./12.
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r1=7.d0/3.d0
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r2=1.d0/12.d0
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r3=3.
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a=-1.25
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b=1.
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@ -311,6 +311,20 @@
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dx(j,i)=h1*(r1*t1+r2*t2)
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ENDDO
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ENDDO
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END SUBROUTINE rhs1np
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SUBROUTINE dfnonp(n,h,x,dx,nd,dir)
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INTEGER,INTENT(IN) :: n,nd,dir
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REAL(KIND=8),INTENT(IN) :: h
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REAL(KIND=8),INTENT(IN),DIMENSION(nd,n) :: x
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REAL(KIND=8),INTENT(OUT),DIMENSION(nd,n) :: dx
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INTEGER :: i,j
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REAL(KIND=8) :: r1,r2,r3,a,b,c,h1,t1,t2,t3,t4
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CALL rhs1np (n,h,x,dx,nd)
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IF (dir.eq.1) CALL tdslv(dx,n,lxf,nd) ! x-direction
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IF (dir.eq.2) CALL tdslv(dx,n,lyf,nd) ! y-direction
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IF (dir.eq.3) CALL tdslv(dx,n,lzf,nd) ! z-direction
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@ -9,22 +9,6 @@ class CompactScheme:
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self.shape = (nz, ny, nx)
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self.coefx1 = np.zeros((nx))
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self.coefy1 = np.zeros((ny))
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self.coefz1 = np.zeros((nz))
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self.coefx2 = np.zeros((nx))
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self.coefy2 = np.zeros((ny))
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self.coefz2 = np.zeros((nz))
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self.coefx3 = np.zeros((nx))
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self.coefy3 = np.zeros((ny))
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self.coefz3 = np.zeros((nz))
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self.coefx4 = np.zeros((nx))
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self.coefy4 = np.zeros((ny))
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self.coefz4 = np.zeros((nz))
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self.px = px
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self.py = py
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self.pz = pz
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@ -34,6 +18,7 @@ class CompactScheme:
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self.hy = h
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self.hz = h
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# Allocate LU
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compact.lxf = np.zeros(nx, dtype=np.float64)
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compact.lxs = np.zeros(nx, dtype=np.float64)
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compact.wxf = np.zeros(nx, dtype=np.float64)
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@ -55,6 +40,163 @@ class CompactScheme:
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compact.ludcmp_calculate(nx, ny, nz, bcx, bcy, bcz)
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def test_ludcmp (self):
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import pprint
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pp = pprint.PrettyPrinter(indent=4)
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# First Derivative Non-periodic BC
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l1 = compact.test_nonp_lud1(self.shape[-1])
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# Second Derivative Non-periodic BC
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l2 = compact.test_nonp_lud2(self.shape[-1])
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print ("Test Internally Calculated Non-periodic Coefs")
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print (np.linalg.norm((l1 - compact.lxf)/compact.lxf))
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print (np.linalg.norm((l2 - compact.lxs)/compact.lxs))
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def py_rhs_1_np (self, x):
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dx = np.zeros(x.shape)
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h1 = 1./self.hx
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r1 = 7./3.
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r2 = 1./12.
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r3 = 3.
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a = -1.25
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b = 1.
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c = 0.25
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nd, n = x.shape
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dx[:, -2] = x[:, -1] - x[:, -3]
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dx[:, -1] = - (a*x[:, -1] + b*x[:, -2] + c*x[:, -3])
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dx[:, 0] = (a*x[:, 0] + b*x[:, 1] + c*x[:, 2])
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dx[:, 1] = x[:, 2] - x[:, 0]
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dx[:,-2] = dx[:,-2]*h1*r3
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dx[:,-1] = dx[:,-1]*h1
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dx[:,0] = dx[:,0]*h1
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dx[:,1] = dx[:,1]*h1*r3
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for i in range(2,n-2):
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t1=x[:,i+1]-x[:,i-1]
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t2=x[:,i+2]-x[:,i-2]
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dx[:,i]=h1*(r1*t1+r2*t2)
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return dx
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def py_tdslv(self, r, l):
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nd, n = r.shape
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r[:,0] = r[:,0] * l[0]
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for i in range(1,n):
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r[:,i] = l[i] * (r[:,i] - r[:,i-1])
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for i in range(n-1)[::-1]:
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r[:,i] = r[:,i] - l[i] * r[:,i+1]
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def test_dfnonp (self):
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x = np.sin(1.1 * np.arange(512) * self.hx).reshape((1,-1))
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exact = 1.1 * np.cos(1.1 * np.arange(512) * self.hx).reshape((1,-1))
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print ("First Non-periodic RHS Test")
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dx = self.py_rhs_1_np(x)
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dx_fortran = compact.rhs1np(self.hx, x)
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print (np.linalg.norm((dx - dx_fortran) / dx_fortran))
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print (((dx - dx_fortran) / dx_fortran).min())
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print (((dx - dx_fortran) / dx_fortran).max())
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print ("First Non-periodic TD SOLVE Test")
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l1 = compact.test_nonp_lud1(512)
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self.py_tdslv(dx, l1)
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compact.tdslv(dx_fortran,l1)
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print ("dx - exact")
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print (np.linalg.norm((dx - exact) / exact))
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print (((dx - exact) / exact).min())
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print (((dx - exact) / exact).max())
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print ("dx_fortran - exact")
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print (np.linalg.norm((dx_fortran - exact) / exact))
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print (((dx_fortran - exact) / exact).min())
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print (((dx_fortran - exact) / exact).max())
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'''
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import pprint
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pp = pprint.PrettyPrinter(indent=4)
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pp.pprint ((dx - exact) / exact)
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pp.pprint ((zip ((dx - exact).ravel(), dx.ravel(), exact.ravel())))
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'''
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def verify_nonp_lud1(self):
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print ("Non-periodic coef first derivative")
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nx = 512
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aa = np.ones(nx) * 3.
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aa[0] = 0.5
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aa[1] = 4.
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aa[-2] = 4.
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aa[-1] = 0.5
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coef = compact.stdlu(aa)
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coef_verify = self.py_stdlu(aa)
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print (np.linalg.norm((coef - coef_verify)/coef_verify))
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def verify_nonp_lud2(self):
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print ("Non-periodic coef second derivative")
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nx = 512
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aa = np.ones(nx) * 3.
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aa[0] = 2./11.
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aa[1] = 10.
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aa[-2] = 10.
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aa[-1] = 2./11.
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coef = compact.stdlu(aa)
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coef_verify = self.py_stdlu(aa)
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print (np.linalg.norm((coef - coef_verify)/coef_verify))
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def py_stdlu(self, aa):
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coef = np.ones(aa.shape)/aa[0]
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print ("coef.size = ", coef.size)
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for i in range(1,coef.size):
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coef[i]=1.0/(aa[i]-coef[i-1])
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return coef
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def ddx (self, src):
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if src.shape != self.shape:
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@ -223,8 +365,6 @@ def validate_trigonometric():
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pi8 = np.arccos(-1.)
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print ("calculated pi value = ", pi8)
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l_0 = 2.0
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hyp=l_0*pi8/ny
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hxp=hyp
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@ -233,16 +373,38 @@ def validate_trigonometric():
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cs = CompactScheme(nx, ny, nz, False, True, True, 4., 2., 2.)
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cs.test_ludcmp()
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cs.verify_nonp_lud1()
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cs.verify_nonp_lud2()
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cs.test_dfnonp()
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print ("Test ddx")
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Y1 = np.zeros(shape)
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true = np.zeros(shape)
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XX = np.arange(nx) * hxp
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YY = np.arange(ny) * hyp
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ZZ = np.arange(nz) * hzp
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print ("1-D sine test")
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cos_fortran = compact.dfnonp(hxp, np.sin(1.1*XX).reshape((1,-1)), 1)
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cos_exact = 1.1 * np.cos(1.1*XX).reshape((1,-1))
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print (np.linalg.norm((cos_fortran - cos_exact)/cos_exact))
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# print (((cos_fortran - cos_exact)/cos_exact))
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print ("3-D trigonometric test")
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zz, yy, xx = np.meshgrid(ZZ, YY, XX)
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Y1[:] = np.sin(1.1 * xx) * np.sin(3.0 * yy) * np.sin(2.0 * zz)[:]
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