# The xml output file has an unsupported format

**URL:** <https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557>\
**Category:** General Usage\
**Created:** [February 18, 2025, 3:47pm UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557 "2025-02-18T15:47:42Z")\
**Posts on this page:** 10\
**Page:** 1

<div class="post-metadata">

**Author:** ![vdemestral](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/vdemestral/32/121_2.png) [@vdemestral](https://aiida.discourse.group/u/vdemestral)\
**Post date:** [February 18, 2025, 3:47pm UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/1 "2025-02-18T15:47:42Z")

</div>

Hello,

I configured a new remote host and a new code. The computer test was successful and the code (pw.x) runs well on the remote machine. I am also able to retrieve quantum espresso output files with the command `verdi calcjob outputcat <pk>`. However, the calculation fails with error message [322]. When I type `(aiida) [user]$ verdi process report 285755`, I get:

```auto
*** 285755: None
*** (empty scheduler output file)
*** Scheduler errors:
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_inexact is signaling
FORTRAN STOP

*** 3 LOG MESSAGES:
+-> WARNING at 2025-02-18 16:23:43.596624+01:00
 | key 'symmetries' is not present in raw output dictionary
+-> ERROR at 2025-02-18 16:23:43.634840+01:00
 | The XML output file has an unsupported format.
+-> WARNING at 2025-02-18 16:23:43.638372+01:00
 | output parser returned exit code<322>: The XML output file has an unsupported format.

```

I am working on Alma Linux, am using aiida-core 2.4.0, aiida-quantumespresso 4.4.0 and aiida-vibroscopy 1.1.1

I configured the pw.x code with the following yml file entrances:

```auto
---
label: xx
description: xx
default_calc_job_plugin: quantumespresso.pw
computer: xx
filepath_executable: /xx..xx/pw.x
prepend_text: |+
    xx...
append_text: " " 

```

What am I missing ?

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<div class="post-metadata">

**Author:** ![t-reents](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/t-reents/32/82_2.png) [@t-reents](https://aiida.discourse.group/u/t-reents)\
**Post date:** [February 18, 2025, 9:06pm UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/2 "2025-02-18T21:06:20Z")

</div>

Hi @vdemestral

just to confirm, if you run `verdi calcjob outputcat <pk>`, you see that this specific calculation finished successfully on the remote machine, correct?

Which version of Quantum ESPRESSO are you using? Is it possible that you are using the recent version of QE, v7.4?

---

<div class="post-metadata">

**Author:** ![vdemestral](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/vdemestral/32/121_2.png) [@vdemestral](https://aiida.discourse.group/u/vdemestral)\
**Post date:** [February 19, 2025, 10:04am UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/3 "2025-02-19T10:04:37Z")

</div>

Hi @t-reents,

Yes, I confirm. This specific calculation finished successfully on the remote machine. I can visualize the output with `verdi calcjob outputcat <pk>`

And yes, I am using QE v7.4

---

<div class="post-metadata">

**Author:** ![t-reents](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/t-reents/32/82_2.png) [@t-reents](https://aiida.discourse.group/u/t-reents)\
**Post date:** [February 19, 2025, 10:19am UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/4 "2025-02-19T10:19:56Z")

</div>

Alright, that should be the issue. Each QE release has a corresponding XML schema that we need to integrate. Support for QE v7.4 was only added in the last release, as you can see in the compatibility matrix of the `aiida-quantumespresso` plugin: [GitHub - aiidateam/aiida-quantumespresso: The official AiiDA plugin for Quantum ESPRESSO](https://github.com/aiidateam/aiida-quantumespresso?tab=readme-ov-file#compatibility-matrix)

Hence, upgrading the plugin to version 4.8 should solve the problem: [aiida-quantumespresso/CHANGELOG.md at v4.8.0 · aiidateam/aiida-quantumespresso · GitHub](https://github.com/aiidateam/aiida-quantumespresso/blob/v4.8.0/CHANGELOG.md#-new-features)

Hope that helps.

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<div class="post-metadata">

**Author:** ![vdemestral](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/vdemestral/32/121_2.png) [@vdemestral](https://aiida.discourse.group/u/vdemestral)\
**Post date:** [February 19, 2025, 10:56am UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/5 "2025-02-19T10:56:18Z")

</div>

Thank you @t-reents, I updated the aiida-quantumespresso plugin to v4.9.0. I am now running the same workflow than previously, but get a `MissingEntryPointError: Entry point 'quantumespresso.hubbard_structure' not found in group 'aiida.data'` error message which I did not get before. What is this due to and how can I solve it?

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<div class="post-metadata">

**Author:** ![mbercx](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/mbercx/32/345_2.png) [@mbercx](https://aiida.discourse.group/u/mbercx)\
**Post date:** [February 19, 2025, 11:17pm UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/6 "2025-02-19T23:17:14Z")

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Hi @vdemestral! How did you update the plugin? Did you pip install it directly from PyPI, e.g. with

```auto
pip install aiida-quantumespresso==4.9.0

```

Or do you have a local clone of the repository?

---

<div class="post-metadata">

**Author:** ![t-reents](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/t-reents/32/82_2.png) [@t-reents](https://aiida.discourse.group/u/t-reents)\
**Post date:** [February 20, 2025, 5:58am UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/7 "2025-02-20T05:58:04Z")

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Hi @mbercx,  
thanks for joining in!

We already did some further debugging locally. She installed it from PyPI using `pip install aiida-quantuemespresso --upgrade` (she also did `pip install aiida-phonopy --upgrade`, but this shouldn’t cause any problems, at least at first glance).

The issue is indeed that `quantumespresso.hubbard_structure` also doesn’t appear when running `verdi plugin list aiida.data`, i.e., the entry point is indeed missing. A few things that we’ve tried/checked:

1. Since she is using `aiida-core 2.4`, explicitly restarting/resetting the daemon didn’t change anything
2. According to our compatibility matrix, `aiida-quantumespresso 4.9` requires `aiida-core 2.5`, due to the changes related to `pydantic`. However, I wouldn’t really expect that this is the issue. Moreover, I locally reproduced her environment, i.e., the versions of `aiida-qe, aiida-core, aiida-phonopy` and independent of the versions, I don’t encounter any entry point related error

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<div class="post-metadata">

**Author:** ![mbercx](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/mbercx/32/345_2.png) [@mbercx](https://aiida.discourse.group/u/mbercx)\
**Post date:** [February 21, 2025, 4:29am UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/8 "2025-02-21T04:29:51Z")

</div>

Very strange! Not immediately sure what I’d try next then… I suppose indeed using `aiida-core==2.4` is fine, in hindsight I think `aiida-core` didn’t have a `pydantic dependency` before v2.5, so there is no conflict (should probably correct the compatibility matrix again 😬).

One further question I’d have is what kind of environment it is? I’ve had some hard times in the past troubleshooting conda environments because some packages were installed with both `pip` and conda.

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<div class="post-metadata">

**Author:** ![vdemestral](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/vdemestral/32/121_2.png) [@vdemestral](https://aiida.discourse.group/u/vdemestral)\
**Post date:** [February 21, 2025, 9:32am UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/9 "2025-02-21T09:32:26Z")

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I’m using a conda environment (conda 23.3.1) and pip installation indeed 🙂

The easiest would probably be to downgrade the QE version, as well as the versions of the aiida plugins. This does not frontally solve the bug though. I’m available for a zoom call if you want more information

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<div class="post-metadata">

**Author:** ![vdemestral](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/vdemestral/32/121_2.png) [@vdemestral](https://aiida.discourse.group/u/vdemestral)\
**Post date:** [February 24, 2025, 3:15pm UTC](https://aiida.discourse.group/t/the-xml-output-file-has-an-unsupported-format/557/10 "2025-02-24T15:15:22Z")

</div>

Update:  
I downgraded the QE version to 7.3.1. After a few trial runs with different plugin versions, I found a combination that works well (no complains) with `aiida-quantumespresso==4.3`, `aiida-phonopy==1.1.4`, `aiida-vibroscopy==1.1.1` and `aiida-core=2.4.0`.
