It is currently Sat Apr 20, 2019 6:17 am

Tell a friend!


Post new topic Reply to topic  [ 5 posts ] 
Gets stuck at wannierize when running EPW v5.1.0 
Author Message

Joined: Thu Dec 06, 2018 8:54 am
Posts: 11
University: Jilin University
Post Gets stuck at wannierize when running EPW v5.1.0
Hi,

I'm trying to use the latest version v5.1.0. But my task gets stuck at wannierize process.

1. This task has been perfectly run in v5.0.0(qe-6.3).

2. And a single Wannier90 v3.0.0 process also works.

3. Then I run the diamond example and get the same problem. So it seems not an individual condition.


The process gets stuck at here
------------------------------------------------------------------------------------------
EPW standard output
...
...
MMN
k points = 216 in 20 pools
1 of 11 on ionode
2 of 11 on ionode
3 of 11 on ionode
4 of 11 on ionode
5 of 11 on ionode
6 of 11 on ionode
7 of 11 on ionode
8 of 11 on ionode
9 of 11 on ionode
10 of 11 on ionode
11 of 11 on ionode
MMN calculated

Running Wannier90
----------------------------------------------------------------------------------------------------------------------
wannierize output (.wout)

...
...
+----------------------------------------------------------------------------+
| b_k Directions (Ang^-1) |
| ----------------------- |
| No. x y z |
| --- -------------------------------- |
| 1 -0.297920 0.297920 -0.297920 |
| 2 0.297920 0.297920 0.297920 |
| 3 -0.297920 -0.297920 0.297920 |
| 4 -0.297920 0.297920 0.297920 |
+----------------------------------------------------------------------------+

Time to get kmesh 0.126 (sec)

Is there any suggestion or advises?

Thanks in advance

Best regards


Tue Mar 19, 2019 3:05 am
Profile E-mail

Joined: Thu Dec 06, 2018 8:54 am
Posts: 11
University: Jilin University
Post Re: Gets stuck at wannierize when running EPW v5.1.0
Update
I run EPW without parallel and this problem disappears.

I think this problem is due to a bug of the parallel of wannier90 as library.


Tue Mar 19, 2019 9:24 am
Profile E-mail

Joined: Mon Dec 17, 2018 12:43 pm
Posts: 19
University: Faculty of sc 'rbt'
Post Re: Gets stuck at wannierize when running EPW v5.1.0
HI :)


where can i found this new version of epw i enter to the home page and i didn't found EPW v5.1.0



Best regard


Tue Mar 19, 2019 10:58 am
Profile E-mail

Joined: Thu Dec 06, 2018 8:54 am
Posts: 11
University: Jilin University
Post Re: Gets stuck at wannierize when running EPW v5.1.0
ilias-serifi wrote:
HI :)


where can i found this new version of epw i enter to the home page and i didn't found EPW v5.1.0



Best regard

Hi,

You just need to download the entire QE-6.4.

http://www.quantum-espresso.org/news-ev ... esso-v-6-4

Best Regards


Wed Mar 20, 2019 2:17 am
Profile E-mail

Joined: Mon Dec 17, 2018 12:43 pm
Posts: 19
University: Faculty of sc 'rbt'
Post Re: Gets stuck at wannierize when running EPW v5.1.0
Hi
Thanks a lot i did it

Best


Wed Mar 20, 2019 10:43 am
Profile E-mail
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 5 posts ] 


Who is online

Users browsing this forum: No registered users and 2 guests


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum

Search for:
Jump to:  
cron
Powered by phpBB © phpBB Group.
Designed by Vjacheslav Trushkin

(All content on this board is governed by and is the sole responsibility of the board administrator.)


Gratis forum Free forum hosting| gratis phpbb3 forum | phpbb3 styles