Forum EPW
http://epwforum.uk/

Error: examine the output/error file for details
http://epwforum.uk/viewtopic.php?f=6&t=108
Page 1 of 1

Author:  Linu [ Sat Sep 03, 2016 11:22 pm ]
Post subject:  Error: examine the output/error file for details

Hi

I am getting following error in the final epw calculation

Running Wannier90
dis_main: problem in ZGESVD 1
Error: examine the output/error file for details


Is this a hardware problem or a problem with my input file

Can you please help me solve this.

Thank you

epw.out

MMN
k points = 216 in 16 pools
1 of 14 on ionode
2 of 14 on ionode
3 of 14 on ionode
4 of 14 on ionode
5 of 14 on ionode
6 of 14 on ionode
7 of 14 on ionode
8 of 14 on ionode
9 of 14 on ionode
10 of 14 on ionode
11 of 14 on ionode
12 of 14 on ionode
13 of 14 on ionode
14 of 14 on ionode
MMN calculated

Running Wannier90
dis_main: problem in ZGESVD 1
Error: examine the output/error file for details



regards

Linu

Author:  sponce [ Sun Sep 04, 2016 11:56 am ]
Post subject:  Re: Error: examine the output/error file for details

Dear Linu,

I'm afraid this is a problem of the Wannier90 code. Indeed EPW does not use ZGESVD.

The problem is in wannier90-2.0.1/src/disentangle.F90

You might want to print all the variable just before entering

Code:
         call ZGESVD ('A', 'A', num_wann, num_wann, caa(:,:,nkp), num_wann, &
              svals, cz, num_wann, cv, num_wann, cwork, 4*num_wann, rwork, info)


to see which one is at fault.

Best,

Samuel

Author:  tswang [ Wed Oct 12, 2016 1:45 am ]
Post subject:  Re: Error: examine the output/error file for details

Hi,

I had the similar error.

1. You can run the test examples, and see if it works.
2. If it works, then check your pseudopotential of your failed run. EPW doesn't support PAW PseudoPotential type.

I was using PAW pseodopotential for Si, and it works. But if I use PAW seodopotentials for SiC, and I would find the same mistake as yours.

Page 1 of 1 All times are UTC
Powered by phpBB © 2000, 2002, 2005, 2007 phpBB Group
http://www.phpbb.com/