[Wannier] Vasp-Wannier Function

[Giovanni Pizzi]

Dear Ceren,
it is hard to give an answer without the input files.

I see two possible reasons:

1. compilation/linking issues: if you have another machine, maybe try to 
see if the same problem happens also there?

2. wrong input file parameters. Indeed, it is easy to find where the 
error is generated:

/$ grep -n "tran_transfer: problem in ZGESV 1" src/*.F90/
*src/transport.F90:1025*:       call io_error('tran_transfer: problem in 
ZGESV 1')

and if you look at line 1025 of that file, you see that the 4th 
parameter of ZGESV (a few lines above) is nxx, which is the last 
parameter of the tran_transfer function. The tran_transfer is called here:

/$ grep -i -n "call tran_transfer" src/*.F90/
src/transport.F90:557:       call 
tran_transfer(tot,tott,hB0,hB1,e_scan_cmp,*tran_num_bb*)
src/transport.F90:794:       call 
tran_transfer(totL,tottL,hL0,hL1,e_scan_cmp,*tran_num_ll*)
src/transport.F90:809:          call 
tran_transfer(totR,tottR,hR0,hR1,e_scan_cmp,*tran_num_rr*)

and as you see the last parameter is tran_num_bb or tran_num_ll or 
tran_num_rr: therefore I would suggest to check that these are not zero 
or negative in your case.

Best,
Giovanni Pizzi


On 05/06/2014 10:07 AM, Ceren Tayran wrote:
>
> I am a VASP user and I tried to solve quantum transport with Wannier 
> function. I get the .win file from VASP. I write keywords to the .win 
> file. After, I use wannier90.x wannier90 and it is not produce 
> -qc.dat.the system give error.
>
> "MKL ERROR : Parameter 4 was incorrect on entry to ZGESV
>
> tran_transfer: problem in ZGESV 1
>
> Error: examine the output/error file for details"
>
> Could you please help me?
>
> Thanks for your advice.
>
> Ceren.
>
>
>
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-- 
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124

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