The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Done, thanks !
Xavier

On 23 Aug 2007, at 15:34, Takeshi Nishimatsu wrote:

> Hi,
>
> Xavier Gonze wrote:
> > Version 5.4.3 will be available soon ...
>
> I encountered "Fortran runtime error: Attempting to allocate  
> already allocated array."
> with version 5.4.2. You may have already fixed it, but this is a  
> patch:
>
> --- partial_dos_fractions_paw.F90~      2007-06-18  
> 02:39:04.000000000 -0400
> +++ partial_dos_fractions_paw.F90       2007-08-22  
> 16:11:03.000000000 -0400
> @@ -111,6 +111,7 @@
>   itypat= dtset%typat(iatom)
>   basis_size=pawtab(itypat)%basis_size
>   lmn_size=pawtab(itypat)%lmn_size
> +  if (allocated(int1)) deallocate(int1,int2)
>   allocate(int1(basis_size*(basis_size+1)/2),int2(basis_size* 
> (basis_size+1)/2))
>   do jln=1,basis_size
>
>
> Debugging tips
> - How to find the place of a runtime-error bug with gfortran and gdb
> First, compile ABINIT with -g option, then
> $ gdb ./abinit
> GNU gdb 6.6-debian
>   :
> (gdb) break _gfortrani_sys_exit
> Function "_gfortrani_sys_exit" not defined.
> Make breakpoint pending on future shared library load? (y or [n]) y
> Breakpoint 1 (_gfortrani_sys_exit) pending.
> (gdb) run < files
>   :
> Fortran runtime error: Attempting to allocate already allocated array.
>   :
> (gdb) where
> You can find the place.
>
> Thank you for the announcement of 5.3.5 and I am looking forward to  
> having 5.4.3,
> -- Takeshi Nishimatsu