[Smeagol-discuss] segmentation fault

[Serhan Yamacli]

Hi Salvador,

I looked at the system resources as you said. Smeagol executable takes 26%
of memory at maximum, then it gives the segmentation fault error.

Best regards,
Serhan

2009/3/21 Barraza-lopez, Salvador <sbl3 at mail.gatech.edu>

>
>
>  Hi Serhan,
>
>  Can you check the dynamic memory in your run? I believe the problem is
> related to this but I may be wrong.
>
>
>
> you can log in to the running node, type top and get an idea of the total
> memory as the program goes.
>
>
>
> Best regards,
>
> -Salvador.
>
>
> ----- Original Message -----
> From: "Serhan Yamacli" <syamacli at gmail.com>
> To: "Salvador Barraza-lopez" <sbl3 at mail.gatech.edu>
> Sent: Saturday, March 21, 2009 11:19:03 AM GMT -05:00 US/Canada Eastern
> Subject: Re: [Smeagol-discuss] segmentation fault
>
> Hi Salvador,
>
> Thanks for the answer but, Smeagol again gives the error when changed basis
> to SZP:
>
>
> -----------------------------------------------------------------------------------------
> initatomlists: Number of atoms, orbitals, and projectors:     60   540
> 960
>
> siesta: System type = chain
>
> * Maximum dynamic memory allocated =     1 MB
>
> siesta:                 ===============================
> SMEAGOL                 Bias step =    0, V =  0.000 Ry
>                             Begin CG move =      0
>                         ===============================
>
> InitMesh: MESH =   180 x   180 x   108 =     3499200
> InitMesh: Mesh cutoff (required, used) =   200.000   212.441 Ry
>
> * Maximum dynamic memory allocated =   279 MB
> Segmentation fault
>
>
> -------------------------------------------------------------------------------------
>
> I again attached the modidied input fdf.
>
> Cheers,
> Serhan
> 2009/3/21 Barraza-lopez, Salvador <sbl3 at mail.gatech.edu>
>
>>   Hi Serhan,  how about reducing the basis size to SZP?
>>
>>
>>
>> Best regards,
>>
>> -Salvador.
>>
>>
>> ----- Original Message -----
>> From: "Serhan Yamacli" <syamacli at gmail.com>
>> To: smeagol-discuss at lists.tchpc.tcd.ie
>> Sent: Saturday, March 21, 2009 10:34:06 AM GMT -05:00 US/Canada Eastern
>> Subject: [Smeagol-discuss] segmentation fault
>>
>> Hi,
>>
>> I'm trying to simulate a (3,3) intrinsic carbon nanotube. I performed the
>> leads calculation. But when I try to simulate the transport, Smeagol says:
>>
>>
>> --------------------------------------------------------------------------------------------------------------
>> initatomlists: Number of atoms, orbitals, and projectors:     60   780
>> 960
>>
>> siesta: System type = chain
>>
>> * Maximum dynamic memory allocated =     1 MB
>>
>> siesta:                 ===============================
>> SMEAGOL                 Bias step =    0, V =  0.000 Ry
>>                             Begin CG move =      0
>>                         ===============================
>>
>> InitMesh: MESH =   240 x   240 x   150 =     8640000
>> InitMesh: Mesh cutoff (required, used) =   400.000   409.800 Ry
>>
>> * Maximum dynamic memory allocated =   727 MB
>> Segmentation fault
>>
>>
>> -------------------------------------------------------------------------------------------------------
>>
>> My fdf file is atteched. How can I solve this problem? I'm using Mandriva
>> 2008 with ifort.
>>
>> Cheers
>> Serhan
>>
>> _______________________________________________ Smeagol-discuss mailing
>> list Smeagol-discuss at lists.tchpc.tcd.ie
>> http://lists.tchpc.tcd.ie/listinfo/smeagol-discuss
>>
>
>
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