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

[plug at infim.ro]

Dear Paolo

Indeed, pw2wannier90-qe502.x recompiled with BLAS and LAPACK from the QE
distribution (v 5.0.2) works ok , so the WAN90_example can be successfully
run.

Thank you !
Neculai

> 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
>>
>> **********************************************
>>   N. Plugaru
>>   National Institute of Materials Physics
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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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