The ABINIT Users Mailing List ( CLOSED )

["Tonatiuh Rangel" <Tonatiuh.Rangel@uclouvain.be>]

Dear Zahra,

I see you are using parallelization over k-points
and a spin polarized calculation.

I have never done such kind of calculations, I always use
nsppol=1 and parallelization over bands.

I know GW works for spin polarized cases,
but I do not know the details of this implementation.

Does any one has ever made a GW calculation
with spinors and k-points parallelization?

I will ask the people here that implemented this part of the code and let
you know.

Best
Tonatiuh


> Dear Tonatiuh
> attached is my input and job files.
> Really need your help! so vital to me!
> Regards
> Zahra
>
> On Fri, Feb 5, 2010 at 1:58 PM, Tonatiuh Rangel <
> Tonatiuh.Rangel@uclouvain.be> wrote:
>
>> Dear Zahra,
>> Could you send us the input file for the SCR?
>> I think this can help us to clarify your problem
>>
>> Best
>> Tonatiuh
>>
>>
>> > Dera All,
>> > I strongly need your help! it is really emergency!
>> > I am already running a GW parallel calculations, using for stages by
>> > tgw2_1.in(up to 4), editting abinit samples to my desired ones. I
>> > really need your help. I try to insert some input variables in my
>> > input files and editting my job file by replacing abinip instead of
>> > abinis. I define gwpara variable in SCR calculation stage and npkpt in
>> > all input files,. the first stage is gone well, but at second one,
>> > calculations stop and give some messages like this:"time reversal
>> > symmetry is applies only when you use sequential version af abinit",
>> > or when I try some other times like this:"some processes are killed by
>> > mpirun"!
>> > I dont know what is the problem and I dont know what can I do to run
>> my
>> > job.
>> > So, did any one do GW parallel before or can guess what is the
>> > problem? did any one know what are necessary input variables? what is
>> > a sample input file to do GW calculations parallel on a cluster? what
>> > should I do?
>> > Please, it is really vital to me to do it before Tuesday, please reply
>> > as soon as you can! I have to get it very soon!
>> > waiting for all your responses,
>> > Zahra
>> >
>> > --
>> > Regards
>> > Zahra Hooshmand
>> >
>> >
>> >
>> > --
>> > Regards
>> > Zahra Hooshmand
>> >
>>
>>
>>
>
>
> --
> Regards
> Zahra Hooshmand
>