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Error: examine the output/error file for details 
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Joined: Thu Aug 11, 2016 1:43 am
Posts: 4
University: Saskatchewan
Post 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


Sat Sep 03, 2016 11:22 pm
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 572
University: Oxford
Post 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

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Sun Sep 04, 2016 11:56 am
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Joined: Wed Oct 12, 2016 1:40 am
Posts: 14
University: University of Delawa
Post 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.


Wed Oct 12, 2016 1:45 am
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