[Wien] Fortran 90 bug (?) causes Segmentation fault in DSTART (doreallocate)

[Gerhard Fecher]

Did you try full static linking ?

I am also curious whether the optimization -O3 would convert the double loops simply back to  hilfsfeld=tf
what should be the fastest way to copy for arrays with the same dimensions.

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Oleg Rubel [oleg.rubel at physik.uni-marburg.de]
Gesendet: Montag, 2. März 2009 20:32
An: WIEN2k, A Mailing list
Betreff: [Wien] Fortran 90 bug (?) causes Segmentation fault in DSTART  (doreallocate)

Dear Wien2k Users and Developers,

I have got a segmentation fault error in DSTART while attempting to initialize a surface structure. I use WIEN2k_08.3 (Release 18/9/2008) compiled with Intel Fortran (version 11.0) using the following options:
FOPT     = -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
FGEN     =
LDFLAGS  = $(FOPT) -L/act/intel/mkl/10.1.0.015/lib/em64t -i-static

The segfault takes place at 'module.f' in  'module reallocate' in line

    hilfsfeld(1:min1,1:min2)=tf(1:min1,1:min2)

I was able to fix the error by changing to an old fashion

    integer*4 :: i, j
    ...
    do i = 1 , min1
       do j = 1 , min2
           hilfsfeld(i,j)=tf(i,j)
       end do
    end do

for all instances 'hilfsfeld(1:min1,1:min2)=tf(1:min1,1:min2)' and 'hilfsfeld(1:min1)=tf(1:min1)' in module.f

It is interesting that the error shows up only for relatively large cases. (In my case min2 = 2507459).


Sincerely,

Oleg Rubel

--
Oleg Rubel, PhD
Thunder Bay Regional Research Institute
290 Munro St
Thunder Bay, ON
P7A  7T1, Canada
Phone: +1-807-7663350
E-mail: rubelo at tbh.net
Homepage: http://www.staff.uni-marburg.de/~rubel/
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