[gmx-users] glibc detected *** g_sas_d

[Rasoul Nasiri]

Justin,

I just ran this calculations on "VERSION 4.6-GPU-dev-20120501-ec56c" and I
will let you know about the outcomes.

Rasoul


On Thu, Jul 18, 2013 at 1:09 PM, Rasoul Nasiri <nasiri1355 at gmail.com> wrote:

> Bellow are commands and error message:
>
> 1-   trjconv_d -f traj.xtc -n maxclust.ndx -o traj_out.xtc
>
> 2-    g_sas_d  -f  traj_out.xtc  -n maxclust.ndx  -o surface.xvg  -nopbc
>
>
> glibc detected *** g_sas_d: malloc(): memory corruption:
> 0x00000000016dfcd0
>
>
> Rasoul
>
>
> On Thu, Jul 18, 2013 at 1:01 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>>
>>
>> On 7/18/13 6:52 AM, Rasoul Nasiri wrote:
>>
>>> Hello all,
>>>
>>> I'm trying to know how the surface area of a nano-drop changes during the
>>> evaporation in the vacuum.
>>>
>>> When I filter the trajectory of non-evaporated molecules by trjconv and
>>> use
>>> g_sas for calculation of their surface, it usually crash (I'm using
>>> version
>>> of 4.5.5).
>>>
>>>
>> What's the error message?  What's your command?
>>
>>
>>  Is there still this issue in the 4.6.*? How it can be resolved?
>>>
>>>
>> Have you tried version 4.6?  That's the quickest way to know.  If there
>> are still problems, you'll need to provide more information.
>>
>> -Justin
>>
>> --
>> ==============================**====================
>>
>> Justin A. Lemkul, Ph.D.
>> Postdoctoral Fellow
>>
>> Department of Pharmaceutical Sciences
>> School of Pharmacy
>> Health Sciences Facility II, Room 601
>> University of Maryland, Baltimore
>> 20 Penn St.
>> Baltimore, MD 21201
>>
>> jalemkul at outerbanks.umaryland.**edu <jalemkul at outerbanks.umaryland.edu>| (410) 706-7441
>>
>> ==============================**====================
>> --
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>
>