[Wannier] Vasp-Wannier Function

[Ceren Tayran]

Thank you for your helps.

I attach my input files.

"MKL ERROR : Parameter 4 was incorrect on entry to ZGESV
 tran_transfer: problem in ZGESV 1
Error: examine the output/error file for details"


2014-05-06 12:08 GMT+03:00 Giovanni Pizzi <giovanni.pizzi at epfl.ch>:

>  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.
>
>
> _______________________________________________
> Wannier mailing listWannier at quantum-espresso.orghttp://www.democritos.it/mailman/listinfo/wannier
>
>
>
> --
> 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
>
>
> _______________________________________________
> Wannier mailing list
> Wannier at quantum-espresso.org
> http://www.democritos.it/mailman/listinfo/wannier
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20140506/b225c7ac/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: wannier90.win
Type: application/octet-stream
Size: 1825 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20140506/b225c7ac/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: POSCAR
Type: application/octet-stream
Size: 1137 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20140506/b225c7ac/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: KPOINTS
Type: application/octet-stream
Size: 26 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20140506/b225c7ac/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: INCAR
Type: application/octet-stream
Size: 149 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20140506/b225c7ac/attachment-0003.obj>