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

[Keith R. <kr...@gm...>]

Dear Togo,

Great, thanks.

On a closer inspection it seems that when I ran the test it was actually 
dynamically linking against an earlier version, and when I do this 
correctly 1.9.5 just takes a while to run and there is no segfault.

The latest fix speeds this up nicely.

Thanks

Keith Refson

On 06/10/16 16:45, Atsushi Togo wrote:
> 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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>
>