Python f2py:输入不是fortran连续的
我用f2py包装了一些fortran代码。以下是fortran代码:Python f2py:输入不是fortran连续的,python,numpy,fortran,f2py,Python,Numpy,Fortran,F2py,我用f2py包装了一些fortran代码。以下是fortran代码: MODULE iteration implicit none contains SUBROUTINE iterate(alpha, beta, e, es, rank, omega, smearing, prec, max_step) REAL(kind=8), INTENT(in) :: omega, smearing, prec INTEGER :: max_step, step, rank, cnt
MODULE iteration
implicit none
contains
SUBROUTINE iterate(alpha, beta, e, es, rank, omega, smearing, prec, max_step)
REAL(kind=8), INTENT(in) :: omega, smearing, prec
INTEGER :: max_step, step, rank, cnt
COMPLEX(kind=16) :: alpha(rank,rank), beta(rank,rank), omega_mat(rank, rank), green(rank, rank)
COMPLEX(kind=16), INTENT(inout) :: e(rank,rank), es(rank,rank)
step = 0
omega_mat = 0
DO cnt=1, rank
omega_mat(cnt, cnt) = 1.0
ENDDO
omega_mat = omega_mat * (omega + (0.0, 1.0) * smearing)
DO WHILE (minval(abs(alpha)) .gt. prec .or. minval(abs(beta)) .gt. prec .and. step .lt. max_step)
green = zInverse(rank, omega_mat - e)
e = e + matmul(alpha, matmul(green, beta)) + matmul(beta, matmul(green, alpha))
es = es + matmul(alpha, matmul(green, beta))
alpha = matmul(alpha, matmul(green, alpha))
beta = matmul(beta, matmul(green, beta))
step = step + 1
ENDDO
END SUBROUTINE iterate
FUNCTION zInverse(n, a) result(ra)
INTEGER :: n,lda,ipiv(n),info,lwork
COMPLEX(kind=16)::a(n,n),ra(n,n),work(n)
ra=a
lwork=n
lda=n
CALL zgetrf(n, n, ra, lda, ipiv, info)
IF(info/=0) WRITE(0,*) 'Error occured in zgetrf!'
CALL zgetri(n, ra, lda, ipiv, work, lwork, info)
IF(info/=0) WRITE(0,*) 'Error occured in zgetri!'
END FUNCTION zInverse
END MODULE iteration
然后我用f2py-L/usr/lib-llapack-m pyiteration-c iteration.F90编译了代码,并用
import numpy as np
import pyiteration
alpha = np.array([[1,0],[0,1]], dtype='complex')
beta = np.array([[1,0],[0,1]], dtype='complex')
e = np.array([[1,0],[0,1]], dtype='complex')
es = np.array([[1,0],[0,1]], dtype='complex')
# f2py is automatically generating rank for me
pyiteration.iteration.iterate(alpha,beta, e, es, 1.0, 0.001, 0.001, 100)
但是,我得到了以下错误:ValueError:未能初始化intent(inout)数组--输入不是fortran连续的
我在谷歌上搜索发现,f2py应该自动使数组fortran连续。那么这里发生了什么?在Fortran中创建的数组(即
out
)将作为Fortran连续返回。但是,我的理解是,在Python中,传入的所有数组(即in
和inout
)必须指定为Fortran连续。如果f2py将它们从C连续更改为F连续,这可能意味着创建一个副本,这将占用额外的内存,这不是很有效
要解决此问题,您只需在每个
np.array
调用中添加一个order='F'
kwarg。您必须使用order='F'
将数组创建为Fortran连续有序数组,以便:
alpha = np.array([[1,0],[0,1]], dtype='complex', order='F')
beta = np.array([[1,0],[0,1]], dtype='complex', order='F')
e = np.array([[1,0],[0,1]], dtype='complex', order='F')
es = np.array([[1,0],[0,1]], dtype='complex', order='F')
我也得到了这个
fortran连续
错误,并通过在.pyf
签名文件中将一些intent(intout)
s更改为intent(in)
,使其消失,例如:
real(kind=8) dimension(:,:),intent(in) :: kernel
integer dimension(:,:),intent(in) :: kernelmask
根据代码,
kernel
和kernelmask
都是intent(in)
,但是f2py
生成。pyf
给它们intent(inout)
。纠正这个错误以某种方式解决了连续错误。它可能不适用于其他情况,但考虑到信息太少,如果出现类似问题,您可能希望尝试一下。您的代码不同,您假设了形状数组(:)
。请注意,当alpha.flags.writeable
不是True
时,也会(不适当地)引发他的错误,您可以通过.copy()
调用变量来绕过它。