Read the fortran unformatted binary data.
in [Fortran]
|
Prev: rlft3.f (3D Fast Fourier transform subroutine)???
Next: brothers and sisters must register and send this article to users
From: Hongyi on 6 Jul 2008 06:49 Hi all, Hi all, Sorry for bother again, this time, I attach the fortran binary data file I want to read use the fortran code. I've a unformatted binary file named Si.cst_esp which include the data as follows if these data have been read out into a regular format file: --------------- 1 1 1 4.185302 2 1 1 2.377237 3 1 1 -0.053069 4 1 1 -1.013479 5 1 1 -0.667829 6 1 1 -0.400710 7 1 1 -0.315664 8 1 1 -0.288375 9 1 1 -0.285014 10 1 1 -0.316897 11 1 1 -0.397220 12 1 1 -0.669933 13 1 1 -1.011012 14 1 1 -0.067510 15 1 1 2.375270 1 2 1 2.377237 2 2 1 0.447560 3 2 1 -0.900999 4 2 1 -0.886866 5 2 1 -0.497244 6 2 1 -0.447079 7 2 1 -0.391529 8 2 1 -0.439345 9 2 1 -0.398312 10 2 1 -0.445836 11 2 1 -0.488855 12 2 1 -0.895775 13 2 1 -0.894621 14 2 1 0.433900 15 2 1 2.332441 ... ... ... ... 15 15 15 -0.716868 --------------- I use the following fortran code to read the binary out: ---------------------- program average_esp implicit none integer, parameter::dp=kind(1.0d0) complex(kind=dp), dimension(:,:,:), allocatable::esp complex(kind=dp), dimension(:), allocatable::esp_col integer::nspins,ngx,ngy,ngz integer::i,j,k,nx,ny character(len=50)::fname write(*,*)'ESP file name?' read(*,*)fname open(unit=10,file=trim(fname),status='old',form='unformatted') read(10)nspins read(10)ngx,ngy,ngz write(*,*)'ESP grid size=',ngx,ngy,ngz allocate(esp(ngx,ngy,ngz)) allocate(esp_col(ngz)) do i=1,ngx*ngy read(10)nx,ny,esp_col esp(nx,ny,:)=esp_col end do close(10) open(unit=10,file=trim(fname)//'.formatted',status='unknown') do i=1,ngx do j=1,ngy do k=1,ngz write(10,'(3i6,f20.8)')i,j,k,real(esp(i,j,k),dp) end do end do end do close(10) write(*,*)'Written potential to ',trim(fname)//'.formatted' deallocate(esp) deallocate(esp_col) stop end program average_esp ---------------------- I compile the following code with gfortan and then read the Si.cst_esp with the compiled utility, but I meet the following errors: ------------------ At line 18 of file read_cst_esp.f90 (unit = 10, file = 'Si.cst_esp') Fortran runtime error: End of file -------------------- Who can give me some hints? Sincerely yours, -------------- hongyi.zhao 2008-07-06
From: Arjen Markus on 6 Jul 2008 07:14 On 6 jul, 12:49, Hongyi <hongyi.z...(a)gmail.com> wrote: > Hi all, > > Hi all, > > Sorry for bother again, this time, I attach the fortran binary data > file I want to read use the fortran code. > > I've a unformatted binary file named Si.cst_esp which include the > data as follows if these data have been read out into a regular format > file: > > --------------- > 1 1 1 4.185302 > 2 1 1 2.377237 > 3 1 1 -0.053069 > 4 1 1 -1.013479 > 5 1 1 -0.667829 > 6 1 1 -0.400710 > 7 1 1 -0.315664 > 8 1 1 -0.288375 > 9 1 1 -0.285014 > 10 1 1 -0.316897 > 11 1 1 -0.397220 > 12 1 1 -0.669933 > 13 1 1 -1.011012 > 14 1 1 -0.067510 > 15 1 1 2.375270 > 1 2 1 2.377237 > 2 2 1 0.447560 > 3 2 1 -0.900999 > 4 2 1 -0.886866 > 5 2 1 -0.497244 > 6 2 1 -0.447079 > 7 2 1 -0.391529 > 8 2 1 -0.439345 > 9 2 1 -0.398312 > 10 2 1 -0.445836 > 11 2 1 -0.488855 > 12 2 1 -0.895775 > 13 2 1 -0.894621 > 14 2 1 0.433900 > 15 2 1 2.332441 > ... ... ... ... > 15 15 15 -0.716868 > --------------- > > I use the following fortran code to read the binary out: > > ---------------------- > program average_esp > > implicit none > > integer, parameter::dp=kind(1.0d0) > > complex(kind=dp), dimension(:,:,:), allocatable::esp > complex(kind=dp), dimension(:), allocatable::esp_col > integer::nspins,ngx,ngy,ngz > integer::i,j,k,nx,ny > character(len=50)::fname > > write(*,*)'ESP file name?' > read(*,*)fname > open(unit=10,file=trim(fname),status='old',form='unformatted') > read(10)nspins > read(10)ngx,ngy,ngz > > write(*,*)'ESP grid size=',ngx,ngy,ngz > > allocate(esp(ngx,ngy,ngz)) > allocate(esp_col(ngz)) > > do i=1,ngx*ngy > read(10)nx,ny,esp_col > esp(nx,ny,:)=esp_col > end do > > close(10) > > open(unit=10,file=trim(fname)//'.formatted',status='unknown') > do i=1,ngx > do j=1,ngy > do k=1,ngz > write(10,'(3i6,f20.8)')i,j,k,real(esp(i,j,k),dp) > end do > end do > end do > close(10) > write(*,*)'Written potential to ',trim(fname)//'.formatted' > > deallocate(esp) > deallocate(esp_col) > > stop > > end program average_esp > ---------------------- > > I compile the following code with gfortan and then read the Si.cst_esp > with the compiled utility, but I meet the following errors: > > ------------------ > At line 18 of file read_cst_esp.f90 (unit = 10, file = 'Si.cst_esp') > Fortran runtime error: End of file > -------------------- > > Who can give me some hints? > > Sincerely yours, > > -------------- > hongyi.zhao > 2008-07-06 Hello, First of all: line 18 seems to be the empty line after read(10) ngx, ngy, ngz. I will assume that it tries to read the second record though. Can you be sure that the unformatted file contains as the first two records, one that contains a single integer, the second three integers? According to the message, the program finds an end of file - so no second record. Could it be that everything is contained on a single record? Regards, Arjen
From: Arjen Markus on 6 Jul 2008 08:49 For the record: Hongyi contacted me personally, and the unformatted file turns out to be big-endian. So, use gfortran's flag -fconvert=big-endian to compile the program. Regards, Arjen
From: glen herrmannsfeldt on 18 Jul 2008 20:42 Hongyi wrote: > Sorry for bother again, this time, I attach the fortran binary data > file I want to read use the fortran code. > I've a unformatted binary file named Si.cst_esp which include the > data as follows if these data have been read out into a regular format Show at least the WRITE statements of the program that wrote the unformatted file that you want to read. Without that, it is not possible to say how to read it. Remember that UNFORMATTED I/O is record oriented. (So is FORMATTED, but you didn't ask about that.) -- glen
From: Terence on 19 Jul 2008 19:52
On Jul 19, 10:42 am, glen herrmannsfeldt <g...(a)ugcs.caltech.edu> wrote: > Remember that UNFORMATTED I/O is record oriented. > (So is FORMATTED, but you didn't ask about that.) NO! UNFORMMATED I/O is not necesarily record oriented. It can be so if DIRECT access is used and a record length specified in bytes (or 4-byte words), or if you read it sequentially in fixed blocks, (which I would often do for buffering reasons when I process unknown data by bytes). UNFORMATTED information is simply data not translated from its internal bit form, whatever that might be (and which is processor dependenta anyway) the only "marker" is the end-of-file signal from the I/O system. |