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[zahra hooshmand <z.hooshmand@gmail.com>]

Dear Martin,

attached is my input files and job files, please let me know what should I do soon, please!

besides, can I run Gw calculations for such a system in a cluster with 100 core in one day?

I really need your help!

waiting you reply unpatiently!

Zahra

2010/2/5 Martin Häufel <martin.haeufel@googlemail.com>

Dear Zahra,

could you please post your input and output files, as well as the job script for the parallel mpi run?

For now, you could try setting awtr 0.

Best regards,

Martin Haeufel
TU Munich, WSI (T33)
www.wsi.tum.de

On 04.02.2010 22:57, zahra hooshmand wrote:

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

Attachment: job.zip
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Attachment: Zahra.zip
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