[Wien] Reg: wannier

[Swetarekha Ram]

Respected Sir,

  Thank You sir for your reply.

200 GB is my the disk space not the ram memory.

Here I am writing the complete procedure what I have followed

First I have completed the scf by using the 8*8*8 k mesh.

After completing the scf, I have done the band structure calculation as
follows.
I have created the case.klist_band from the w2web page and then i followed
the command x lapw1 -band, x spaghetti.
Now I got the band structure.

Then I copied the case.struct to case.ksym. In the case.ksym file I have
removed the  all symmetry matrix except the 1 symmetry where I have the
diagonal points 1 1 1.
Then I used x kgen -so and took the 8*8*8 mesh and got total 512 points in
the irriducible Brillouin zone.

Then I ran x lapw1
find_bands case -2 1
write_w2win case and then
write_win
In this point I got the error massage as before

Thanking You


On Tue, Sep 3, 2013 at 2:38 PM, Elias Assmann <elias.assmann at gmail.com>wrote:

> Dear Swetarekha Ram,
>
>
> On 09/01/2013 06:17 PM, Swetarekha Ram wrote:
>
>> I am running wannier function programme.
>> I have followed the UG and could able to reproduce the example.
>>
>> Now I was running for other compound, with the perovskite structure.
>>
>> When I put the command write_win case, I got the error as below.
>> I have checked the memory of my system also, I have nearly 200 GB space.
>> This step need more than this space for the calculation .
>> Or what could be the reason ?
>>
>> glibc detected *** write_win: malloc(): memory corruption:
>> 0x0000000000ec00b0 ***
>>
>
> From this error message, I can only tell you that something went wrong in
> `write_win´ (although the real problem may be at an earlier step); and it
> is not an "out of memory" error (incidentally, are you sure that 200 GB is
> not your disk space rather than RAM [="memory"]).
>
> Please tell us what you did to arrive at this error, and/or produce a more
> meaningful error message (compile with `-g´, debug print statements, ...).
>
>
>         Elias Assmann
>
>
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-- 
Swetarekha Ram,
Research Scholar,
Dept. of Physics,
IIT Hyderabad.
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