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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

I've just runned your case for 4 hours and it seems to work fine.
At least until Broyden step 5. So unless your problem appears further
ahaead, I guess that it  comes from your compiler(s)  or computer. By
the way it is not a problem with the amount of available memory since
your problem does not use more than 600 MB of memory.

regards

PMA

On Fri, Oct 3, 2008 at 9:52 AM, sara yazdani <sarayazdani@yahoo.com> wrote:
> Dear Sir,
>
> Thanks for your kind reply.
>
> I have used troullier martins as the pseudopotential. Please find them as
> enclosed.
>
> And I have to add that I have successfully ran the input file for
> calculating the total enery of the same system.
>
> Regads,
> Sara
>
> --- On Fri, 3/10/08, Anglade Pierre-Matthieu <anglade@gmail.com> wrote:
>
> From: Anglade Pierre-Matthieu <anglade@gmail.com>
> Subject: Re: [abinit-forum] Haulting of the run
> To: forum@abinit.org
> Date: Friday, 3 October, 2008, 12:15 AM
>
> Hi, Can you also send the references (or files) for the
> pseudopotentials, I'll try a go on your case.
> In the meantime you can also try to check your own computer. For
> instance you could try running a "memtest86" just to check your RAM.
> regards.
>
> PMA
>
> On Fri, Oct 3, 2008 at 7:35 AM, sara yazdani <sarayazdani@yahoo.com>
> wrote:
>> Dear Sir,
>>
>> I am working on a system dual core, 2GHz, with 3.36 GB ram. For the
>> optimization of the follwoing input file, I have alot of problems,
> including:
>>
>> - segmentation fault
>> - stopping of the program without any error
>> - restarting of the computer without any error during the run
>> - the reporting of the bugs
>>
>> For solving these problems 1. I changed the linuxes, 2. tried different
>> compilers G95, Gfortran (GCC) and intel F90. Still the problem remains.
>>
>> I have also tried different versions of Abinit includng 5.6.0 and 5.5.4
> other
>> than 5.4.4, but still the problem is there.
>>
>> I would be very glad to have your kind guide.
>>
>> Regards,
>> Sara
>>
>> #Structural optimisation of first diameter wire
>>   #prtvol -1
>>    chkprim 0
>> #Definition of the unit cell
>> #**********************************
>>   acell 21.274637 21.274637 9.833341
>>   angdeg 90 90 120
>>
>> #Definition of the atoms
>> #*********************
>>   natom 12
>>   ntypat 2
>>   znucl 30 8
>>   typat 6*1 6*2
>>   xred   1/3  1/3  0.0
>>          1/3  1/2  1/2
>>          1/2  2/3  0.0
>>          2/3  2/3  1/2
>>          2/3  1/2  0.0
>>          1/2  1/3  1/2
>>          1/3  1/2  1/8
>>          1/2  2/3  5/8
>>          2/3  2/3  1/8
>>          2/3  1/2  5/8
>>          1/2  1/3  1/8
>>          1/3  1/3  5/8
>>
>> #Definition of the scf procedure
>> #******************************
>>   iscf 7
>>   nstep 500
>>   nband 80
>>
>> #Definition of the plane wave basis
>> #************************************
>>   ecut  45
>>   ecutsm 0.5
>>   iprcel 45
>>   kptopt 1
>>   kptrlatt  1  0  0
>>                  0  1  0
>>                  0  0  6
>>   nshiftk 1
>>   shiftk  0.0 0.0 0.5
>>
>> #Structural relaxation
>> #*********************
>>   ionmov 3
>>   optcell 2
>>   tolvrs 1.0d-5
>>   tolmxf 5.0d-5
>>   ntime 250
>>
>
>
>
> --
> Pierre-Matthieu Anglade
>
>



-- 
Pierre-Matthieu Anglade