EPW Forum

Posted: **Sat Sep 03, 2016 11:22 pm**

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

Posted: **Sun Sep 04, 2016 11:56 am**

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: Select all

         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

Posted: **Wed Oct 12, 2016 1:45 am**

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.

EPW Forum

Error: examine the output/error file for details

Error: examine the output/error file for details

Re: Error: examine the output/error file for details

Re: Error: examine the output/error file for details