# Latest **URL:** https://aiida.discourse.group/latest.md?page=1 [Latest](https://aiida.discourse.group/latest.md) · [Categories](https://aiida.discourse.group/categories.md) · [Tags](https://aiida.discourse.group/tags.md) **Page:** 2 --- ## [Error archive import](https://aiida.discourse.group/t/error-archive-import/696)
**Author:** [@Scemp](https://aiida.discourse.group/u/Scemp)\ **Replies:** 2\ **Last updated:** [December 2, 2025, 5:27pm UTC](https://aiida.discourse.group/t/error-archive-import/696 "2025-12-02T17:27:49Z")
Dear all, I have been using aiida for a while now, and I wanted to import some calculations Data for "Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionali… --- ## [Strategy for freeing up space from local AiiDA repository](https://aiida.discourse.group/t/strategy-for-freeing-up-space-from-local-aiida-repository/691)
**Author:** [@adamg](https://aiida.discourse.group/u/adamg)\ **Replies:** 1\ **Last updated:** [November 18, 2025, 6:42am UTC](https://aiida.discourse.group/t/strategy-for-freeing-up-space-from-local-aiida-repository/691 "2025-11-18T06:42:18Z")
I am actively using AiiDA for 2.5 years now. My .aiida repository has grown very large (350 GB, 500 000 nodes) and I am running out of disk space (500 GB hard drive). My repository contains various types of DFT and MD ca… --- ## [Safe to perform AiiDA backup with unfinished processes?](https://aiida.discourse.group/t/safe-to-perform-aiida-backup-with-unfinished-processes/692)
**Author:** [@ahkole](https://aiida.discourse.group/u/ahkole)\ **Replies:** 1\ **Last updated:** [November 14, 2025, 1:08pm UTC](https://aiida.discourse.group/t/safe-to-perform-aiida-backup-with-unfinished-processes/692 "2025-11-14T13:08:17Z")
I regularly backup my AiiDA profiles with the verdi storage backup command. My approach has always been to make sure all the processes have finished before performing a backup. However, I have been running longer and lon… --- ## [AiiDA database issue: queries fail with SSL SYSCALL error: EOF detected (PostgreSQL 12)](https://aiida.discourse.group/t/aiida-database-issue-queries-fail-with-ssl-syscall-error-eof-detected-postgresql-12/687)
**Author:** [@Binbin\_Liu](https://aiida.discourse.group/u/Binbin_Liu)\ **Replies:** 4\ **Last updated:** [October 28, 2025, 4:50pm UTC](https://aiida.discourse.group/t/aiida-database-issue-queries-fail-with-ssl-syscall-error-eof-detected-postgresql-12/687 "2025-10-28T16:50:23Z")
Hi, I experienced a host crash and forced shutdown, where running aiida daemons were forced to stop. Then I migrated the remaining database to a new machine (verdi status is ok) and saw the following errors when doing v… --- ## [Some questions about reproducibility](https://aiida.discourse.group/t/some-questions-about-reproducibility/690)
**Author:** [@ahkole](https://aiida.discourse.group/u/ahkole)\ **Replies:** 2\ **Last updated:** [October 28, 2025, 4:41pm UTC](https://aiida.discourse.group/t/some-questions-about-reproducibility/690 "2025-10-28T16:41:12Z")
Hello, I had some questions related to reproducibility for a provenance graph that contains locally defined calcfunction’s, workfunction’s or WorkChain’s. Since these components are probably not published publicly somewh… --- ## [Getting started](https://aiida.discourse.group/t/getting-started/688)
**Author:** [@bourdin](https://aiida.discourse.group/u/bourdin)\ **Replies:** 2\ **Last updated:** [October 23, 2025, 11:40am UTC](https://aiida.discourse.group/t/getting-started/688 "2025-10-23T11:40:21Z")
Hi, I am about to start a new multi-institutional project involving large scale numerical simulations and experiments of material fatigue. I’ve gotten through many of the documentation pages, and tutorials, but am stil… --- ## [Dry run for relax workchain](https://aiida.discourse.group/t/dry-run-for-relax-workchain/686)
**Author:** [@Walser52](https://aiida.discourse.group/u/Walser52)\ **Replies:** 6\ **Last updated:** [October 21, 2025, 7:01am UTC](https://aiida.discourse.group/t/dry-run-for-relax-workchain/686 "2025-10-21T07:01:06Z")
How does one run a dry\_run for a workchain and have the input files created in the present folder? I tried setting the dry\_run for the subprocesses (see commented lines below) in the builder but none of them worked. fro… --- ## [Kill job allocation when workflow ends](https://aiida.discourse.group/t/kill-job-allocation-when-workflow-ends/685)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 5\ **Last updated:** [October 15, 2025, 5:08pm UTC](https://aiida.discourse.group/t/kill-job-allocation-when-workflow-ends/685 "2025-10-15T17:08:36Z")
I’ve been working on a persistent scheduler plugin which creates an allocation that it can proxy into and submit more jobs. I have it all working but have now come to the part where I need to kill the allocation if the j… --- ## [How to replicate active\_map\_zone for dynamic mapping in the latest aiida-workgraph?](https://aiida.discourse.group/t/how-to-replicate-active-map-zone-for-dynamic-mapping-in-the-latest-aiida-workgraph/682)
**Author:** [@DoriniTT](https://aiida.discourse.group/u/DoriniTT)\ **Replies:** 4\ **Last updated:** [October 5, 2025, 3:08pm UTC](https://aiida.discourse.group/t/how-to-replicate-active-map-zone-for-dynamic-mapping-in-the-latest-aiida-workgraph/682 "2025-10-05T15:08:56Z")
Hi everyone, I’m migrating a project from aiida-workgraph==0.5.2 and need some help finding the modern equivalent for the active\_map\_zone functionality. Previously, my workflow would dynamically generate an unknown num… --- ## [Handling PwCalculation Failures with Exit Code 305 or 312](https://aiida.discourse.group/t/handling-pwcalculation-failures-with-exit-code-305-or-312/683)
**Author:** [@anumitabose](https://aiida.discourse.group/u/anumitabose)\ **Replies:** 1\ **Last updated:** [October 4, 2025, 9:50pm UTC](https://aiida.discourse.group/t/handling-pwcalculation-failures-with-exit-code-305-or-312/683 "2025-10-04T21:50:45Z")
We are currently running DFT+U calculations using PwBaseWorkChain, and we’ve encountered an issue where some PwCalculation jobs are stopping due to hardware-related problems. Specifically, the calculations are finishing … --- ## [Error in assigning pseudopotentials to the builder object](https://aiida.discourse.group/t/error-in-assigning-pseudopotentials-to-the-builder-object/681)
**Author:** [@ansonthms](https://aiida.discourse.group/u/ansonthms)\ **Replies:** 6\ **Last updated:** [September 23, 2025, 2:06pm UTC](https://aiida.discourse.group/t/error-in-assigning-pseudopotentials-to-the-builder-object/681 "2025-09-23T14:06:29Z")
Dear all, I am a new user of AiiDA, and was trying the example provided at 1. Quantum ESPRESSO — AiiDA Tutorials documentation My issue is as follows: After initializing the builder, attaching the structure element, a… --- ## [Finding exact command that was executed](https://aiida.discourse.group/t/finding-exact-command-that-was-executed/680)
**Author:** [@Walser52](https://aiida.discourse.group/u/Walser52)\ **Replies:** 4\ **Last updated:** [September 22, 2025, 11:41am UTC](https://aiida.discourse.group/t/finding-exact-command-that-was-executed/680 "2025-09-22T11:41:53Z")
I have a simple code (given below) for the Espresso plugin based on the tutorial. It’s not really working. It’s possible that the command I use on the terminal is slightly different. I tried setting up code with differen… --- ## [Run only one job on local machine](https://aiida.discourse.group/t/run-only-one-job-on-local-machine/459)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 3\ **Last updated:** [September 19, 2025, 12:58pm UTC](https://aiida.discourse.group/t/run-only-one-job-on-local-machine/459 "2025-09-19T12:58:52Z")
Hello everyone, I’ve recently been doing development on my local machine and at some point have several jobs that get launched in parallel from a single workchain instance. It seems someone had a similar question Is the… --- ## [Quantumespresso.pw.relax seems to copy label from input to output structures](https://aiida.discourse.group/t/quantumespresso-pw-relax-seems-to-copy-label-from-input-to-output-structures/678)
**Author:** [@ajjackson](https://aiida.discourse.group/u/ajjackson)\ **Replies:** 8\ **Last updated:** [September 17, 2025, 3:12pm UTC](https://aiida.discourse.group/t/quantumespresso-pw-relax-seems-to-copy-label-from-input-to-output-structures/678 "2025-09-17T15:12:48Z")
(Apologies if this should be an Issue against the relevant plugin repo. I see lots of questions about aiida-quantumespresso here so it seemed ok!) I have been trying to use aiida-quantumespresso for geometry relaxation … --- ## [Pseudopotentials in aiida workflow example with Espresso](https://aiida.discourse.group/t/pseudopotentials-in-aiida-workflow-example-with-espresso/679)
**Author:** [@Walser52](https://aiida.discourse.group/u/Walser52)\ **Replies:** 2\ **Last updated:** [September 17, 2025, 8:58am UTC](https://aiida.discourse.group/t/pseudopotentials-in-aiida-workflow-example-with-espresso/679 "2025-09-17T08:58:29Z")
I’m following the workflows tutorial in the aiida documentation. I get an error regarding missing pseudopotentials when they are actually installed. alat = 4.0 ase\_structure = crystal('Si', \[(0, 0, 0)\], spacegroup=227, … --- ## [Issue installing QM v24.04.0](https://aiida.discourse.group/t/issue-installing-qm-v24-04-0/677)
**Author:** [@aferreira32](https://aiida.discourse.group/u/aferreira32)\ **Replies:** 5\ **Last updated:** [September 9, 2025, 9:25pm UTC](https://aiida.discourse.group/t/issue-installing-qm-v24-04-0/677 "2025-09-09T21:25:20Z")
Hi all, I am very new to AiiDa and Quantum Mobile. I have been trying to install the latest version of QM (v24.04.0), but I keep getting a timeout error. This does not occur when I try to download other versions. What … --- ## [Error with verdi archive create --help](https://aiida.discourse.group/t/error-with-verdi-archive-create-help/637)
**Author:** [@ccigna](https://aiida.discourse.group/u/ccigna)\ **Replies:** 3\ **Last updated:** [September 8, 2025, 5:25pm UTC](https://aiida.discourse.group/t/error-with-verdi-archive-create-help/637 "2025-09-08T17:25:52Z")
Hello. I’m getting this error when doing “verdi archive create -h” (but all good if I do “verdi archive -h”). Do you know why? Maybe it is useful to report. I’m using AiiDA v2.6.3. verdi archive create --help Traceba… --- ## [Verdi storage maintain consumes all disk space](https://aiida.discourse.group/t/verdi-storage-maintain-consumes-all-disk-space/636)
**Author:** [@adamg](https://aiida.discourse.group/u/adamg)\ **Replies:** 4\ **Last updated:** [August 26, 2025, 7:43am UTC](https://aiida.discourse.group/t/verdi-storage-maintain-consumes-all-disk-space/636 "2025-08-26T07:43:10Z")
I am running AiiDA on my laptop for two years now, and running low on disk space. The size of my container repository is at 215 GB. Today I tried the command “verdi storage maintain” to try to reduce disk space usage, ho… --- ## [Await\_condition](https://aiida.discourse.group/t/await-condition/634)
**Author:** [@Hossein\_Mirhosseini](https://aiida.discourse.group/u/Hossein_Mirhosseini)\ **Replies:** 4\ **Last updated:** [July 26, 2025, 1:40pm UTC](https://aiida.discourse.group/t/await-condition/634 "2025-07-26T13:40:15Z")
Hi all, Do you have any suggestions for the deprecated await\_condition? When two workchains are running, can the second workchain be made to wait until some steps of the first workchain have been completed? When the n… --- ## [Usage of a homemade plugins](https://aiida.discourse.group/t/usage-of-a-homemade-plugins/632)
**Author:** [@gjoalland13](https://aiida.discourse.group/u/gjoalland13)\ **Replies:** 4\ **Last updated:** [July 24, 2025, 10:58am UTC](https://aiida.discourse.group/t/usage-of-a-homemade-plugins/632 "2025-07-24T10:58:38Z")
Hi all, I am reaching out because I have some questions regarding the writing of plugins. I quickly followed the documentation tutorial, but there is a fundamental concept that I think I am not understanding. I am tryi… --- ## [Latest docker image](https://aiida.discourse.group/t/latest-docker-image/624)
**Author:** [@Kenneth\_Chiu](https://aiida.discourse.group/u/Kenneth_Chiu)\ **Replies:** 1\ **Last updated:** [July 17, 2025, 12:11am UTC](https://aiida.discourse.group/t/latest-docker-image/624 "2025-07-17T00:11:41Z")
It seems that the latest docker image is for 22.07.25a. I just wanted to confirm that. Are the Virtual box images more up-to-date? --- ## [Save information to parent workchain](https://aiida.discourse.group/t/save-information-to-parent-workchain/630)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 4\ **Last updated:** [July 16, 2025, 11:53pm UTC](https://aiida.discourse.group/t/save-information-to-parent-workchain/630 "2025-07-16T23:53:13Z")
Hello everyone, I am continuing my development of the aiida-flux-scheduler, Implementing the Flux scheduler from LLNL, and want to save information for the scheduler to the parent workchain. I am wanting to do this with… --- ## [Test fails for aiida-core v2.7.0 with InstalledCode](https://aiida.discourse.group/t/test-fails-for-aiida-core-v2-7-0-with-installedcode/631)
**Author:** [@bastonero](https://aiida.discourse.group/u/bastonero)\ **Replies:** 7\ **Last updated:** [July 16, 2025, 3:28pm UTC](https://aiida.discourse.group/t/test-fails-for-aiida-core-v2-7-0-with-installedcode/631 "2025-07-16T15:28:48Z")
Dear all, I am writing as I am not sure how to solve the problem I am facing. The test test\_run of the file workflows/test\_ase.py of aiida-phonopy is failing with the following error: test\_ase.py::test\_run 07/15/2025 0… --- ## [Automatically storing info about Python environment in nodes for calcfunctions](https://aiida.discourse.group/t/automatically-storing-info-about-python-environment-in-nodes-for-calcfunctions/431)
**Author:** [@ahkole](https://aiida.discourse.group/u/ahkole)\ **Replies:** 12\ **Last updated:** [July 9, 2025, 4:25pm UTC](https://aiida.discourse.group/t/automatically-storing-info-about-python-environment-in-nodes-for-calcfunctions/431 "2025-07-09T16:25:23Z")
When I design my calcfunctions I try as much as possible to follow the guidelines in the documentation about reproducibility: Process functions — AiiDA 2.6.1 documentation However, I often do have to have to import some… --- ## [404 Page Not Found: versions.yaml file URL issue](https://aiida.discourse.group/t/404-page-not-found-versions-yaml-file-url-issue/629)
**Author:** [@Narjes](https://aiida.discourse.group/u/Narjes)\ **Replies:** 2\ **Last updated:** [June 30, 2025, 5:30am UTC](https://aiida.discourse.group/t/404-page-not-found-versions-yaml-file-url-issue/629 "2025-06-30T05:30:30Z")
Hi, I’m encountering an issue while running the aiida-pseudo install sssp command. The URL for downloading the versions.yaml file leads to a “Critical: 404 Client Error: NOT FOUND for url …”: https://archive.materialsc… --- ## [AiiDA v2.7.0 released](https://aiida.discourse.group/t/aiida-v2-7-0-released/628)
**Author:** [@geiger\_j](https://aiida.discourse.group/u/geiger_j)\ **Replies:** 0\ **Last updated:** [June 25, 2025, 8:21am UTC](https://aiida.discourse.group/t/aiida-v2-7-0-released/628 "2025-06-25T08:21:02Z")
Hey everyone :wave: We just released a new version of AiiDA, v2.7.0. This minor release comes with a number of new and exciting features, as well as bug fixes. You can read more about it in our recent blog post, as well… --- ## [Regarding Workchain Not Executing After Modification](https://aiida.discourse.group/t/regarding-workchain-not-executing-after-modification/622)
**Author:** [@rushikd27](https://aiida.discourse.group/u/rushikd27)\ **Replies:** 5\ **Last updated:** [June 19, 2025, 12:05am UTC](https://aiida.discourse.group/t/regarding-workchain-not-executing-after-modification/622 "2025-06-19T00:05:21Z")
Hi everyone, I was designing some workchains for my VASP calculations, and what I noticed was that every time I changed something and restarted the daemon, it still seemed to execute an older version of the script. Am I… --- ## [Cannot connect to database](https://aiida.discourse.group/t/cannot-connect-to-database/240)
**Author:** [@jgarridoa](https://aiida.discourse.group/u/jgarridoa)\ **Replies:** 9\ **Last updated:** [June 17, 2025, 3:31pm UTC](https://aiida.discourse.group/t/cannot-connect-to-database/240 "2025-06-17T15:31:38Z")
Hi everyone I have been using Aiida in two different workstations available in my research group. To install Aiida in those workstations, I simply followed the steps in Installation into Conda environment — AiiDA 2.5.1.… --- ## [Processes get expected due to memory error from plumpy](https://aiida.discourse.group/t/processes-get-expected-due-to-memory-error-from-plumpy/618)
**Author:** [@bastonero](https://aiida.discourse.group/u/bastonero)\ **Replies:** 2\ **Last updated:** [June 17, 2025, 1:42pm UTC](https://aiida.discourse.group/t/processes-get-expected-due-to-memory-error-from-plumpy/618 "2025-06-17T13:42:24Z")
Hello everyone, I am using aiida-core v2.4.0 and plumpy ~0.22. I have a very large database (~5M nodes) with a PostgreSQL backend. I keep getting the following error for some random process: 2025-06-07 14:45:44 \[189791… --- ## [Jobs getting stuck in created](https://aiida.discourse.group/t/jobs-getting-stuck-in-created/617)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 1\ **Last updated:** [June 12, 2025, 12:50pm UTC](https://aiida.discourse.group/t/jobs-getting-stuck-in-created/617 "2025-06-12T12:50:46Z")
Hello, I have been getting workflows that are getting stuck in the created status for the initial workflow. It seems similar to a question posed by Calculations get stuck in "created" state. Here at LLNL they recently f… [Previous page](https://aiida.discourse.group/latest.md) [Next page](https://aiida.discourse.group/latest.md?page=2)