# Latest **URL:** https://aiida.discourse.group/latest.md [Latest](https://aiida.discourse.group/latest.md) · [Categories](https://aiida.discourse.group/categories.md) · [Tags](https://aiida.discourse.group/tags.md) --- ## [Welcome to AiiDA! 👋](https://aiida.discourse.group/t/welcome-to-aiida/5)
**Author:** [@system](https://aiida.discourse.group/u/system)\ **Replies:** 0\ **Last updated:** [June 28, 2023, 11:42am UTC](https://aiida.discourse.group/t/welcome-to-aiida/5 "2023-06-28T11:42:11Z")
Welcome to the AiiDA Discourse, a centralized forum for everything about AiiDA. :rocket: Getting started: Are you new to AiiDA? If you’re struggling with the installation, or wondering how AiiDA can be used to power you… --- ## [Prospective GSoC 2027 Contributor: Introduction and Interest in AiiDA](https://aiida.discourse.group/t/prospective-gsoc-2027-contributor-introduction-and-interest-in-aiida/770)
**Author:** [@vividwhisp](https://aiida.discourse.group/u/vividwhisp)\ **Replies:** 2\ **Last updated:** [September 20, 2026, 6:23pm UTC](https://aiida.discourse.group/t/prospective-gsoc-2027-contributor-introduction-and-interest-in-aiida/770 "2026-09-20T18:23:23Z")
Hello AiiDA community, My name is Vinesh, and I am a developer with a background in Python and AI/ML. I am writing to introduce myself as a prospective contributor for Google Summer of Code 2027 under the NumFOCUS umbre… --- ## [Google Summer of Code (GSoC) 2026](https://aiida.discourse.group/t/google-summer-of-code-gsoc-2026/706)
**Author:** [@geiger\_j](https://aiida.discourse.group/u/geiger_j)\ **Replies:** 23\ **Last updated:** [September 6, 2026, 5:50pm UTC](https://aiida.discourse.group/t/google-summer-of-code-gsoc-2026/706 "2026-09-06T17:50:39Z")
Dear all, Just like in the last years, in 2026, AiiDA is again participating in the Google Summer of Code (GSoC) program under the NumFocus umbrella. As you can see in the GSoC timeline excerpt below, we will ourselves… --- ## [4th bug fixed ! Preserve node annotations from cache](https://aiida.discourse.group/t/4th-bug-fixed-preserve-node-annotations-from-cache/765)
**Author:** [@So-coder-ai](https://aiida.discourse.group/u/So-coder-ai)\ **Replies:** 0\ **Last updated:** [September 5, 2026, 3:10am UTC](https://aiida.discourse.group/t/4th-bug-fixed-preserve-node-annotations-from-cache/765 "2026-09-05T03:10:30Z")
PR : #7609 Fixes #7580 When storing a node from cache, preserve label and description values already set on the new node instead of overwriting them with the cache source’s annotations. Empty labels/descriptions still … --- ## [Starting to work on AiiDA v3 on \`main\` branch with breaking changes](https://aiida.discourse.group/t/starting-to-work-on-aiida-v3-on-main-branch-with-breaking-changes/764)
**Author:** [@agoscinski](https://aiida.discourse.group/u/agoscinski)\ **Replies:** 0\ **Last updated:** [September 4, 2026, 8:27am UTC](https://aiida.discourse.group/t/starting-to-work-on-aiida-v3-on-main-branch-with-breaking-changes/764 "2026-09-04T08:27:12Z")
Hello everyone, We have started making major changes for AiiDA v3 on the main branch. For your projects, please do not pin to main. We generally do not recommend using the main branch for any production code, but especi… --- ## [From bash to AiiDA](https://aiida.discourse.group/t/from-bash-to-aiida/752)
**Author:** [@hothello](https://aiida.discourse.group/u/hothello)\ **Replies:** 3\ **Last updated:** [August 13, 2026, 12:37pm UTC](https://aiida.discourse.group/t/from-bash-to-aiida/752 "2026-08-13T12:37:01Z")
Hello, I need a bit of help for getting started with AiiDA. I want to manage a simple workflow which is composed of three steps: #!/bin/bash basename="csh\_s06\_03" # 1. custom python tool python3 /home/aiida/cash/scrip… --- ## [How to use scp/rsync instead of sftp for transport](https://aiida.discourse.group/t/how-to-use-scp-rsync-instead-of-sftp-for-transport/693)
**Author:** [@Zhishuo](https://aiida.discourse.group/u/Zhishuo)\ **Replies:** 17\ **Last updated:** [July 28, 2026, 8:05am UTC](https://aiida.discourse.group/t/how-to-use-scp-rsync-instead-of-sftp-for-transport/693 "2026-07-28T08:05:12Z")
Dear all, I am setting up the computer within AiiDA on my personal laptop for a remote HPC (bridges2 from PSC), with the configuration as following: allow\_agent: true compress: true gss\_auth: false gss\_deleg\_creds: fal… --- ## [Access to cluster with two-factor authentication](https://aiida.discourse.group/t/access-to-cluster-with-two-factor-authentication/165)
**Author:** [@DoriniTT](https://aiida.discourse.group/u/DoriniTT)\ **Replies:** 8\ **Last updated:** [July 26, 2026, 9:12am UTC](https://aiida.discourse.group/t/access-to-cluster-with-two-factor-authentication/165 "2026-07-26T09:12:38Z")
Hello everyone, I recently gained access to a cluster that requires two-factor authentication for login (it uses Google Authenticator). Is it possible to configure AiiDA on my computer to access this cluster nonetheless… --- ## [AiiDA-ABINIT: JTH XML (PAW) pseudo upload fails, PSP8 works](https://aiida.discourse.group/t/aiida-abinit-jth-xml-paw-pseudo-upload-fails-psp8-works/753)
**Author:** [@RRRashmi](https://aiida.discourse.group/u/RRRashmi)\ **Replies:** 3\ **Last updated:** [July 16, 2026, 2:04pm UTC](https://aiida.discourse.group/t/aiida-abinit-jth-xml-paw-pseudo-upload-fails-psp8-works/753 "2026-07-16T14:04:13Z")
Hi, I am encountering a strange issue with AiiDA + ABINIT. Environment AiiDA Core: 2.6.4 aiida-abinit: 0.5.0 (editable local development version) aiida-pseudo: 1.8.0 AbiPy: 0.9.8 (editable local development version) A… --- ## [Verdi daemon stuck](https://aiida.discourse.group/t/verdi-daemon-stuck/748)
**Author:** [@AndresOrtegaGuerrero](https://aiida.discourse.group/u/AndresOrtegaGuerrero)\ **Replies:** 6\ **Last updated:** [July 15, 2026, 9:19am UTC](https://aiida.discourse.group/t/verdi-daemon-stuck/748 "2026-07-15T09:19:09Z")
Hi, After several attempts to repair the process, the verdi daemon remains stuck. So far, I have tried: Restarting the daemon with verdi daemon restart Running the repair process again Increasing the number of daemon… --- ## [2 PhD opportunities at PSI (Switzerland)](https://aiida.discourse.group/t/2-phd-opportunities-at-psi-switzerland/728)
**Author:** [@giovannipizzi](https://aiida.discourse.group/u/giovannipizzi)\ **Replies:** 0\ **Last updated:** [May 22, 2026, 7:37pm UTC](https://aiida.discourse.group/t/2-phd-opportunities-at-psi-switzerland/728 "2026-05-22T19:37:41Z")
Two PhD positions at PSI Switzerland — Materials Software and Data Group (Dr. Giovanni Pizzi) We are advertising two PhD positions at the Paul Scherrer Institute (PSI), both within the Materials Software and Data Group … --- ## [Should \`verdi\` be renamed to \`aiida\` or add \`aiida\` as an alias](https://aiida.discourse.group/t/should-verdi-be-renamed-to-aiida-or-add-aiida-as-an-alias/406)
**Author:** [@sphuber](https://aiida.discourse.group/u/sphuber)\ **Replies:** 5\ **Last updated:** [May 19, 2026, 4:35am UTC](https://aiida.discourse.group/t/should-verdi-be-renamed-to-aiida-or-add-aiida-as-an-alias/406 "2026-05-19T04:35:52Z")
Historical context The command line interface (CLI) of AiiDA is called verdi. When AiiDA was created, the CLI was named verdi mostly for technical reasons, since aiida would clash with the Python package. This technical… --- ## [\`aiida-quantumespresso\`: (planned) breaking changes for v5.0](https://aiida.discourse.group/t/aiida-quantumespresso-planned-breaking-changes-for-v5-0/684)
**Author:** [@mbercx](https://aiida.discourse.group/u/mbercx)\ **Replies:** 3\ **Last updated:** [May 13, 2026, 11:16am UTC](https://aiida.discourse.group/t/aiida-quantumespresso-planned-breaking-changes-for-v5-0/684 "2026-05-13T11:16:27Z")
Hi fellow aiida-quantumespresso developers! A month ago, I released an alpha release of aiida-quantumespresso (5.0.0a1). This was done in a bit of a hurry, since we needed some breaking changes released for the MC3D pap… --- ## [New aiida.net is live 🎉 come take a look!](https://aiida.discourse.group/t/new-aiida-net-is-live-come-take-a-look/722)
**Author:** [@ali-khosravi](https://aiida.discourse.group/u/ali-khosravi)\ **Replies:** 0\ **Last updated:** [April 28, 2026, 1:53pm UTC](https://aiida.discourse.group/t/new-aiida-net-is-live-come-take-a-look/722 "2026-04-28T13:53:39Z")
Hey folks :hand\_with\_fingers\_splayed: The new aiida.net just went live! Have a click around when you get a sec and see what’s new. Spotted something broken, weird, or got a cool idea for the site? Drop it as a sub-issu… --- ## [Join Google Summer of Code (GSoC) 2024](https://aiida.discourse.group/t/join-google-summer-of-code-gsoc-2024/293)
**Author:** [@jusong.yu](https://aiida.discourse.group/u/jusong.yu)\ **Replies:** 6\ **Last updated:** [March 30, 2026, 8:40pm UTC](https://aiida.discourse.group/t/join-google-summer-of-code-gsoc-2024/293 "2026-03-30T20:40:52Z")
AiiDA is again participate in Google Summer of Code (GSOC) 2024 as the sub-organization under the NumFocus umbrella! Last year, our student @AhmedBasem20 achieved remarkable results with a project that continues to bene… --- ## [New Era of AiiDA](https://aiida.discourse.group/t/new-era-of-aiida/720)
**Author:** [@mukul-sharma-tech](https://aiida.discourse.group/u/mukul-sharma-tech)\ **Replies:** 7\ **Last updated:** [March 27, 2026, 4:35pm UTC](https://aiida.discourse.group/t/new-era-of-aiida/720 "2026-03-27T16:35:57Z")
Hi @AiiDA Team I hope you’re doing well. I’m currently preparing my GSoC proposal for the project “Natural Language Interface for AiiDA using Multi-Agent AI”, and I would really appreciate your feedback on the idea and… --- ## [Proposal: AI Copilot for AiiDA (Multi-Agent + RAG)](https://aiida.discourse.group/t/proposal-ai-copilot-for-aiida-multi-agent-rag/713)
**Author:** [@Unnati\_Kadam](https://aiida.discourse.group/u/Unnati_Kadam)\ **Replies:** 1\ **Last updated:** [March 27, 2026, 4:21pm UTC](https://aiida.discourse.group/t/proposal-ai-copilot-for-aiida-multi-agent-rag/713 "2026-03-27T16:21:26Z")
Hi everyone, After reading this year’s GSoC proposal on implementing a natural language interface for AiiDA using multi-agent AI, I’ve been thinking about a possible direction and would love to get early feedback. Rath… --- ## [Https://docs.sqlalchemy.org/en/20/errors.html#error-e3q8](https://aiida.discourse.group/t/https-docs-sqlalchemy-org-en-20-errors-html-error-e3q8/705)
**Author:** [@dongxinyue45-design](https://aiida.discourse.group/u/dongxinyue45-design)\ **Replies:** 4\ **Last updated:** [March 23, 2026, 2:04pm UTC](https://aiida.discourse.group/t/https-docs-sqlalchemy-org-en-20-errors-html-error-e3q8/705 "2026-03-23T14:04:05Z")
Hello, everyone. Have you ever encountered the problem where the same tasks were submitted, and the database was frequently locked? Is this because I used “core.sqlite\_dos” instead of “core.psql\_dos”? And “core.psql\_dos… --- ## [AiiDA v2.8.0 released](https://aiida.discourse.group/t/aiida-v2-8-0-released/718)
**Author:** [@geiger\_j](https://aiida.discourse.group/u/geiger_j)\ **Replies:** 0\ **Last updated:** [March 19, 2026, 8:22am UTC](https://aiida.discourse.group/t/aiida-v2-8-0-released/718 "2026-03-19T08:22:07Z")
Hey everyone :wave: In the beginning of this week, we released a new version of AiiDA, v2.8.0 :rocket: This minor release comes with a number of new and exciting features, as well as bug fixes, making the code more pow… --- ## [Starting workchain from a given calculation and change selected parameters](https://aiida.discourse.group/t/starting-workchain-from-a-given-calculation-and-change-selected-parameters/717)
**Author:** [@bonfus](https://aiida.discourse.group/u/bonfus)\ **Replies:** 3\ **Last updated:** [March 10, 2026, 10:22am UTC](https://aiida.discourse.group/t/starting-workchain-from-a-given-calculation-and-change-selected-parameters/717 "2026-03-10T10:22:43Z")
Hi there, I’m sure this has been asked 100+ times, but I could not find the relevant post. I would like to make a workchain that starts from a given calcjob, i.e. it uses the same inputs and the produced temporary file… --- ## [Unexpected Deamon Crash](https://aiida.discourse.group/t/unexpected-deamon-crash/716)
**Author:** [@gjoalland13](https://aiida.discourse.group/u/gjoalland13)\ **Replies:** 5\ **Last updated:** [March 6, 2026, 4:19pm UTC](https://aiida.discourse.group/t/unexpected-deamon-crash/716 "2026-03-06T16:19:35Z")
Dear AiiDA developers, I am experiencing an issue with running AiiDA v2.7.3 on my macOS computer. I initially installed AiiDA with PostgreSQL v14.21 (using Homebrew) and RabbitMQ v4.2.4 (using via the Generic Unix Bina… --- ## [Looking to get involved early in the GSoC 2026 AI project](https://aiida.discourse.group/t/looking-to-get-involved-early-in-the-gsoc-2026-ai-project/703)
**Author:** [@Ashish\_Mahajan](https://aiida.discourse.group/u/Ashish_Mahajan)\ **Replies:** 1\ **Last updated:** [February 24, 2026, 10:59am UTC](https://aiida.discourse.group/t/looking-to-get-involved-early-in-the-gsoc-2026-ai-project/703 "2026-02-24T10:59:16Z")
Hi everyone :waving\_hand: I’m Ashish Mahajan, a GSoC 2025 contributor with NumFOCUS, and I’m very interested in the GSoC 2026 project on a natural language interface for AiiDA using multi-agent AI. I have experience wit… --- ## [How to modify dumping process?](https://aiida.discourse.group/t/how-to-modify-dumping-process/707)
**Author:** [@djitech13](https://aiida.discourse.group/u/djitech13)\ **Replies:** 1\ **Last updated:** [February 17, 2026, 9:18am UTC](https://aiida.discourse.group/t/how-to-modify-dumping-process/707 "2026-02-17T09:18:39Z")
Hi everyone, Is it possible to customize what gets included in verdi process dump \? In my case (post-wannier / postw90), the dump output doesn’t include, e.g.aiida\_elcond.dat, what I’d like to get for analyzing/plo… --- ## [Question about GSoC 2026](https://aiida.discourse.group/t/question-about-gsoc-2026/702)
**Author:** [@Ayush\_Kumar](https://aiida.discourse.group/u/Ayush_Kumar)\ **Replies:** 4\ **Last updated:** [February 9, 2026, 8:37am UTC](https://aiida.discourse.group/t/question-about-gsoc-2026/702 "2026-02-09T08:37:15Z")
Hello AiiDA team! My name is Ayush Kumar, and I am targeting GSoC 2026. Last year, I submitted a proposal for a project under this organization, but after the project ideas were released, AiiDA did not participate in GS… --- ## [AiiDA v2.7.3 released](https://aiida.discourse.group/t/aiida-v2-7-3-released/704)
**Author:** [@agoscinski](https://aiida.discourse.group/u/agoscinski)\ **Replies:** 0\ **Last updated:** [February 3, 2026, 10:36am UTC](https://aiida.discourse.group/t/aiida-v2-7-3-released/704 "2026-02-03T10:36:24Z")
Dear AiiDA users, We released the patch release v2.7.3 with important fixes to the transport and scheduler modules used in the CalcJob (for details please see the CHANGELOG.md). We strongly encourage you to upgrade to v… --- ## [RabbitMQ NACK on kubernetes setup for single user](https://aiida.discourse.group/t/rabbitmq-nack-on-kubernetes-setup-for-single-user/700)
**Author:** [@hungdt](https://aiida.discourse.group/u/hungdt)\ **Replies:** 5\ **Last updated:** [January 14, 2026, 8:42am UTC](https://aiida.discourse.group/t/rabbitmq-nack-on-kubernetes-setup-for-single-user/700 "2026-01-14T08:42:56Z")
Hi everyone, Recently, I have got an error from a user using AiiDA in my k8s cluster. Whenever he runs or submits a task, the task is stuck at “Created” status with some error messages that I guess related to RabbitMQ … --- ## [Storage schema version is incompatible with the code version 'main\_0002'](https://aiida.discourse.group/t/storage-schema-version-is-incompatible-with-the-code-version-main-0002/701)
**Author:** [@dongxinyue45-design](https://aiida.discourse.group/u/dongxinyue45-design)\ **Replies:** 4\ **Last updated:** [January 7, 2026, 7:23am UTC](https://aiida.discourse.group/t/storage-schema-version-is-incompatible-with-the-code-version-main-0002/701 "2026-01-07T07:23:49Z")
There’s an error “OperationalError: database is locked” after submitting multiple tasks. I need to follow the instructions labeled “MIGRATE NOW” in the picture above. After that, do I need to reconfigure the computer and… --- ## [AiiDA v2.7.2 released](https://aiida.discourse.group/t/aiida-v2-7-2-released/699)
**Author:** [@geiger\_j](https://aiida.discourse.group/u/geiger_j)\ **Replies:** 0\ **Last updated:** [December 10, 2025, 1:59pm UTC](https://aiida.discourse.group/t/aiida-v2-7-2-released/699 "2025-12-10T13:59:24Z")
Hey everyone :wave: We just released a new version of AiiDA, v2.7.2 :rocket: This patch release comes with a number of important bug fixes to the CLI, storage, archive, and transport modules, so we strongly recommend u… --- ## [PdosWorkChain does not work with kresolvedoss True](https://aiida.discourse.group/t/pdosworkchain-does-not-work-with-kresolvedoss-true/698)
**Author:** [@ccigna](https://aiida.discourse.group/u/ccigna)\ **Replies:** 1\ **Last updated:** [December 9, 2025, 5:59pm UTC](https://aiida.discourse.group/t/pdosworkchain-does-not-work-with-kresolvedoss-true/698 "2025-12-09T17:59:17Z")
Hello, I’m trying to run some fat bands, so projwfc.x calculations using the flag kresolveddos = True, when I realized it cannot be set to True in the PdosWorkChain. Why? Can this flag be added? Or is there any workaro… --- ## [\`BaseRestartWorkChain\`: upcoming changes in behavior for unhandled failures](https://aiida.discourse.group/t/baserestartworkchain-upcoming-changes-in-behavior-for-unhandled-failures/697)
**Author:** [@mbercx](https://aiida.discourse.group/u/mbercx)\ **Replies:** 0\ **Last updated:** [December 8, 2025, 10:51pm UTC](https://aiida.discourse.group/t/baserestartworkchain-upcoming-changes-in-behavior-for-unhandled-failures/697 "2025-12-08T22:51:52Z")
Hi all, We’re very close to merging the following PR, which will be a part of the upcoming v2.8.0 release: which makes some changes in the behavior of the BaseRestartWorkChain when dealing with unhandled failures (se… [Next page](https://aiida.discourse.group/latest.md?page=1)