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Re: [abinit-forum] Phonons in 4.5.2


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  • From: verstraete@pcpm.ucl.ac.be
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Phonons in 4.5.2
  • Date: Wed, 24 Aug 2005 01:17:52 +0200 (CEST)


Ciao Fabrizio,

I have had some of this type of problem, always with the xlf compiler, but under Mac. Gian-Marco Rignanese identified the probable cause, after we arrived at the same "solution" independently:

it looks like allocating a local array with variable dimension directly in the variable definitions, as in

integer, intent(in) :: natom
real(dp) :: aa(natom) (as opposed to aa(3) with constant dimensions)

can give this kind of segmentation fault, at least with xlf. In any case it is slightly sloppy, and should be replaced by

integer, intent(in) :: natom
real(dp), allocatable :: aa(:)

allocate (aa(natom))

If you can find the routine that crashed, try this for all applicable arrays and see if it works. In any event we should clean the code of these declarations (tedious but not difficult).

In bocca al lupo

Matthieu


--
================================================================
Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be
PCPM, Boltzmann, pl. Croix du Sud, 1 tel: +32 10 47 33 59
B-1348 Louvain-la-Neuve Belgium fax: +32 10 47 34 52


  • Phonons in 4.5.2, fabrizio cleri, 08/23/2005
    • Re: [abinit-forum] Phonons in 4.5.2, verstraete, 08/24/2005

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