[Pw_forum] pw2wannier90 in stand-alone mode ... Segmentation fault - invalid memory reference / more information

[Paolo Giannozzi]

Likely, it is due to the "zdotc problem" mentioned here:
http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node14.html#SECTION00037610000000000000

Paolo

On Sat, Apr 9, 2016 at 11:44 PM, <plug at infim.ro> wrote:

> Dear all
>
> We managed to get some more information on this issue :
>
> It seems that pw2wannier90-qe502.x tries to read from a memory address
> which is not specified to it. This happens for
> `generate_guiding_functions` where ZDOTC runs : forms the dot product of
> two complex vectors.
>
> ==21089== Thread 1:
> ==21089== Invalid read of size 4
> ==21089==    at 0x57BF6B3: ZDOTC (in
> /opt/intel/composer_xe_2013.3.163/mkl/lib/intel64/libmkl_intel_lp64.so)
> ==21089==    by 0x448E40: generate_guiding_functions_
> (pw2wannier90.f90:2210)
> ==21089==    by 0x44946F: compute_amn_ (pw2wannier90.f90:1998)
> ==21089==    by 0x452A81: MAIN__ (pw2wannier90.f90:245)
> ==21089==    by 0x437F1C: main (pw2wannier90.f90:84)
> ==21089==  Address 0x81 is not stack'd, malloc'd or (recently) free'd
> ==21089==
>
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
> #0  0x979B667
> #1  0x979BC34
> #2  0xA3A319F
> #3  0x57BF6B3
> #4  0x448E40 in generate_guiding_functions_ at pw2wannier90.f90:2210
> #5  0x44946F in compute_amn_ at pw2wannier90.f90:1998
> #6  0x452A81 in pw2wannier90 at pw2wannier90.f90:245
>
> Maybe this might help to find a cure.
> Best,
> Neculai
>
> **********************************************
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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