The ABINIT Users Mailing List ( CLOSED )

[Takeshi Nishimatsu <takeshi@physics.rutgers.edu>]

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