Re: [Spglib-users] Segfault with out-of-box fractional co-ordinates

[Atsushi T. <atz...@gm...>]

Hi,

1. I couldn't reproduce the segfault, but I hope this segfault has
been already fixed at version 1.9.5.
2. Thanks to your hint, the infinite loop behaviour is probably fixed.
This fix is released with the next version.

Thanks.

Togo

On Thu, Oct 6, 2016 at 3:39 PM, Keith Refson <kr...@gm...> wrote:
> Dear Togo,
>
> We are currently using 1.9.4 with CASTEP (where it went into an infinite
> loop instead), but I tested the "C" testcase with the git head.
>
> Keith Refson
>
>
>
> On 06/10/16 14:27, Atsushi Togo wrote:
>>
>> Hi Keith,
>>
>> I confirmed the problem happening when atoms are very out of the box.
>> Segfault is related but another problem I think. Which version of
>> spglib do you use?
>>
>> Thanks,
>>
>> Togo
>>
>> On Thu, Oct 6, 2016 at 1:04 PM, Keith Refson <kr...@gm...> wrote:
>>>
>>> Hi,
>>>
>>> I have a case where "spg_get_multiplicity" segfaults if the fractional
>>> co-ordinates of atoms are outside the primitive cell.
>>>
>>> The attached testcase segfaults and gives a valgrind traceback of:
>>>
>>>
>>> ==7780== Invalid read of size 8
>>> ==7780==    at 0x4E459FC: get_operations (symmetry.c:247)
>>> ==7780==    by 0x4E418AA: search_spacegroup (spacegroup.c:293)
>>> ==7780==    by 0x4E42494: spa_get_spacegroup (spacegroup.c:224)
>>> ==7780==    by 0x4E42B65: get_dataset (spglib.c:811)
>>> ==7780==    by 0x4E437B6: get_multiplicity (spglib.c:1016)
>>> ==7780==    by 0x4E437B6: spg_get_multiplicity (spglib.c:331)
>>> ==7780==    by 0x4012F5: test_spg_get_multiplicity_1 (in
>>> /home/kr/CASTEP/BUGS/Chris_Symmetry_Cmca/out-of-cell)
>>> ==7780==    by 0x4009BA: main (in
>>> /home/kr/CASTEP/BUGS/Chris_Symmetry_Cmca/out-of-cell)
>>> ==7780==  Address 0x0 is not stack'd, malloc'd or (recently) free'd
>>>
>>> Keith Refson
>>>
>>>
>>>
>>>
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>>
>>
>



-- 
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...