$QE/ZG.x < ZG_1.in > ZG_1.out gives error.

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frederik1
Posts: 6
Joined: Wed Dec 28, 2022 8:52 am
Affiliation: Prof.

$QE/ZG.x < ZG_1.in > ZG_1.out gives error.

Post by frederik1 »

Hi There,

I am trying the examples in the EPW site for the ZG calculations but this step

$QE/ZG.x < ZG_1.in > ZG_1.out

in the "Exercise 3b" gives an error:

MPI processes distributed on 1 nodes
255098 MiB available memory on the printing compute node when the environment starts

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine ZG (5010):
reading input namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

stopping ...

I appreciate your help.

Best,

Ilhan
frederik1
Posts: 6
Joined: Wed Dec 28, 2022 8:52 am
Affiliation: Prof.

Re: $QE/ZG.x < ZG_1.in > ZG_1.out gives error.

Post by frederik1 »

Hi, I found the problem but still dont know how to fix.

So apparently ZG.x does not recognize the ASDM = .true. because when i deleted it, ZG.x was completed.
So what could be the problem?

Best,

Ilhan
frederik1
Posts: 6
Joined: Wed Dec 28, 2022 8:52 am
Affiliation: Prof.

Re: $QE/ZG.x < ZG_1.in > ZG_1.out gives error.

Post by frederik1 »

Ok. I found the problem myself. It was just a version difference. ZG.x in QE7.2 does not
have that feature. I locally installed the latest version of ZG.x with which dependencies
directed to already installed QE7.2 and ZG_1.in finally worked! with no problem.
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