[Wien] Large klist file errors

[Lukasz Plucinski]

Dear Dr. Tran,

One important thing: this happens when running parallel calculation:

x lapw1 -band -up -p

There are many error messages being printed out into the terminal in 
large amounts. I didn't save it, because I know that program works well 
with 200x200 mesh. I think WIEN2k does not know how to divide 400x400 
mesh into smaller klist_band_x files for parallel calculation (I using 8 
localhost cores in .machines file). Either some internal limit, or issue 
with my compilation.

There were for example 898 output1up files produced 24 kB each, and many 
other files.

It seems to work with 300x300 k-point mesh, running now for 30 min 
without errors.

Best,
Lukasz



On 8/24/2018 4:37 PM, tran at theochem.tuwien.ac.at wrote:
> Hi,
>
> is there an error message?
>
> FT
>
> On Friday 2018-08-24 16:31, Lukasz Plucinski wrote:
>
>> Date: Fri, 24 Aug 2018 16:31:49
>> From: Lukasz Plucinski <pluto at physics.ucdavis.edu>
>> Reply-To: A Mailing list for WIEN2k users 
>> <wien at zeus.theochem.tuwien.ac.at>
>> To: wien at zeus.theochem.tuwien.ac.at
>> Subject: [Wien] Large klist file errors
>>
>> Dear All,
>>
>> I tried 160000 k-points (400x400) klist_band file, but I am getting 
>> errors, and together with these errors hundreds little output files 
>> are produced. 300x300 klist file seems to work, perhaps 100000 
>> k-points is a limit for a klist_band?
>>
>> Is there a way to fix this other than preparing klists manually?
>>
>> Best,
>> Lukasz
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