# Paral\_kgb 1 not working with bands / plane-waves

**URL:** <https://discourse.abinit.org/t/paral-kgb-1-not-working-with-bands-plane-waves/3476>\
**Category:** Ground state\
**Tags:** parallelism\
**Created:** [March 15, 2024, 7:51pm UTC](https://discourse.abinit.org/t/paral-kgb-1-not-working-with-bands-plane-waves/3476 "2024-03-15T19:51:44Z")\
**Posts on this page:** 4\
**Page:** 1

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**Author:** ![dbennett1994](https://discourse.abinit.org/user_avatar/discourse.abinit.org/dbennett1994/32/409_2.png) [@dbennett1994](https://discourse.abinit.org/u/dbennett1994)\
**Post date:** [March 15, 2024, 7:51pm UTC](https://discourse.abinit.org/t/paral-kgb-1-not-working-with-bands-plane-waves/3476/1 "2024-03-15T19:51:44Z")

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Hi all,

I noticed that my build of abinit can only parallelize over k-points, and crashes if I set `npband > 1` or `npfft > 1`. I usually always parallelize over k-points, but I’ve started working on a relatively large set of all calculations, all with very different numbers of k-points. The number of bands and plane wave cutoff is the same in each calculation though, so I want to try parallelizing over them instead.

I’ve attached an example input here:

[hbn.in](https://discourse.abinit.org/uploads/short-url/2cvJSSLe6JeYmuRxkxtckE7ygdX.in) (1.7 KB)

And here are the errors I get:

[slurm-23566270.out](https://discourse.abinit.org/uploads/short-url/r15HlMgEt8pseY2seLYsVuU7X4h.abi) (14.4 KB)

I’m using abinit v9.8.4, config file and log attached:  
[make.ac9](https://discourse.abinit.org/uploads/short-url/vZHCiY2t2ryT01x0i1Wp56B543Q.ac9) (1.6 KB)  
[config.log](https://discourse.abinit.org/uploads/short-url/f7rh7RdbhXPAXqMjl2XealEJAeA.log) (307.8 KB)

And I’m using the following libraries:  
`intel-23.0.0`  
`intel-mkl-23.0.0`  
`openmpi-4.1.4`

Any help/advice much appreciated!

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**Author:** ![ebousquet](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/e/67e7ee/32.png) [@ebousquet](https://discourse.abinit.org/u/ebousquet)\
**Post date:** [March 17, 2024, 1:15pm UTC](https://discourse.abinit.org/t/paral-kgb-1-not-working-with-bands-plane-waves/3476/2 "2024-03-17T13:15:57Z")

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Hi Danny,  
You are using Berry phase calculations and, unfortunately, it is parallelized over k-points only, we need some human time to extend it to band parallelism…  
Cheers,  
Eric

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**Author:** ![dbennett1994](https://discourse.abinit.org/user_avatar/discourse.abinit.org/dbennett1994/32/409_2.png) [@dbennett1994](https://discourse.abinit.org/u/dbennett1994)\
**Post date:** [March 22, 2024, 7:38pm UTC](https://discourse.abinit.org/t/paral-kgb-1-not-working-with-bands-plane-waves/3476/3 "2024-03-22T19:38:32Z")

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Ok, thanks for letting me know!

I’m assuming then that finite field calculations are also only parallelized over k-points?

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**Author:** ![ebousquet](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/e/67e7ee/32.png) [@ebousquet](https://discourse.abinit.org/u/ebousquet)\
**Post date:** [March 22, 2024, 10:59pm UTC](https://discourse.abinit.org/t/paral-kgb-1-not-working-with-bands-plane-waves/3476/4 "2024-03-22T22:59:47Z")

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Yep, same problem as E-field uses the calculation of P with Berry phase…