# \#question **URL:** https://aiida.discourse.group/tag/question/2.md [Latest](https://aiida.discourse.group/latest.md) · [Categories](https://aiida.discourse.group/categories.md) · [Tags](https://aiida.discourse.group/tags.md) --- ## [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… --- ## [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… --- ## [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… --- ## [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… --- ## [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 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… --- ## [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… --- ## [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 … --- ## [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… --- ## [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… --- ## [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… --- ## [Error 305 on tutorial pw.x simulation](https://aiida.discourse.group/t/error-305-on-tutorial-pw-x-simulation/620)
**Author:** [@DoctorMushy](https://aiida.discourse.group/u/DoctorMushy)\ **Replies:** 0\ **Last updated:** [June 9, 2025, 9:10am UTC](https://aiida.discourse.group/t/error-305-on-tutorial-pw-x-simulation/620 "2025-06-09T09:10:58Z")
Hi all, I’m trying my first QE calculation within Quantum Mobile. I’ve been following Running external codes — AiiDA Tutorials and after a few attempts cannot get a successful simulation. I believe this is a result of '… --- ## [SQLAlchemy Error After an Abnormal Restart](https://aiida.discourse.group/t/sqlalchemy-error-after-an-abnormal-restart/613)
**Author:** [@YuhaoJiang](https://aiida.discourse.group/u/YuhaoJiang)\ **Replies:** 7\ **Last updated:** [May 15, 2025, 3:53am UTC](https://aiida.discourse.group/t/sqlalchemy-error-after-an-abnormal-restart/613 "2025-05-15T03:53:53Z")
Hi all, After an abnormal computer restart, I found that I cannot properly run any workflows, and the existing node data remains accessible. Submitted workflows have a high probability of getting stuck. I’ve uploaded t… --- ## [Find pseudo family from pseudo](https://aiida.discourse.group/t/find-pseudo-family-from-pseudo/610)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 2\ **Last updated:** [May 8, 2025, 6:08pm UTC](https://aiida.discourse.group/t/find-pseudo-family-from-pseudo/610 "2025-05-08T18:08:40Z")
I am wanting to find what pseudo family a particular pseudo might have come from and I’m guessing the best way to do this would be through using the PK associated with the pseudo unless of course I’m missing where it’s l… --- ## [File configuration on windows11](https://aiida.discourse.group/t/file-configuration-on-windows11/569)
**Author:** [@Joker](https://aiida.discourse.group/u/Joker)\ **Replies:** 1\ **Last updated:** [May 5, 2025, 10:02am UTC](https://aiida.discourse.group/t/file-configuration-on-windows11/569 "2025-05-05T10:02:33Z")
I have downloaded aiida-core in the Python 3.9 virtual environment. However, I can’t use verdi status or verdi profile setup , which means I can’t configure the files. Currently, I’m unable to connect to the RabbitMQ ser… --- ## [Restarting the QE calculations using the retrieved charge density](https://aiida.discourse.group/t/restarting-the-qe-calculations-using-the-retrieved-charge-density/606)
**Author:** [@abmazitov](https://aiida.discourse.group/u/abmazitov)\ **Replies:** 1\ **Last updated:** [April 29, 2025, 8:55am UTC](https://aiida.discourse.group/t/restarting-the-qe-calculations-using-the-retrieved-charge-density/606 "2025-04-29T08:55:15Z")
Dear Users/Developers, I’m trying to find a way to restart the QE calculation using the saved charge densities file. In the parent calculation, it was gzipped and stored by setting the filename in the additional\_retriev… --- ## [Job Arrays / Task Farming](https://aiida.discourse.group/t/job-arrays-task-farming/604)
**Author:** [@Schastef](https://aiida.discourse.group/u/Schastef)\ **Replies:** 1\ **Last updated:** [April 22, 2025, 10:42am UTC](https://aiida.discourse.group/t/job-arrays-task-farming/604 "2025-04-22T10:42:06Z")
Dear Aiida community, I am currently using a QE workchain in Aiida (specifically aiida\_hubbard) that consists of a “bigger” series of calcjobs – namely a cycle of scf-, vc-relax and hp-calculations. I execute these tas… --- ## [Implementing the Flux scheduler from LLNL](https://aiida.discourse.group/t/implementing-the-flux-scheduler-from-llnl/473)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 11\ **Last updated:** [April 16, 2025, 12:45pm UTC](https://aiida.discourse.group/t/implementing-the-flux-scheduler-from-llnl/473 "2025-04-16T12:45:14Z")
Hello everyone, I am looking to possibly start implementing a scheduler plugin for the Flux scheduler that has been developed here at LLNL. This will be very useful as the next generation of super computers at the lab w… --- ## [Aiida to control instruments with SiLA2.0](https://aiida.discourse.group/t/aiida-to-control-instruments-with-sila2-0/590)
**Author:** [@Dirk](https://aiida.discourse.group/u/Dirk)\ **Replies:** 1\ **Last updated:** [April 11, 2025, 4:12pm UTC](https://aiida.discourse.group/t/aiida-to-control-instruments-with-sila2-0/590 "2025-04-11T16:12:45Z")
Hi everyone, I’m researching the suitability of Aiida for instrument control through the SilA2.0 lab protocol. We are considering Aiida as an orchestrator for an autonomous laboratory. I have looked at some other orches… --- ## [Usage of AiiDA-QE in multiple conda environments](https://aiida.discourse.group/t/usage-of-aiida-qe-in-multiple-conda-environments/595)
**Author:** [@gjoalland13](https://aiida.discourse.group/u/gjoalland13)\ **Replies:** 4\ **Last updated:** [April 1, 2025, 2:48pm UTC](https://aiida.discourse.group/t/usage-of-aiida-qe-in-multiple-conda-environments/595 "2025-04-01T14:48:06Z")
Hi, I have different projects that involve the usage of AiiDA for which I have created separate Conda environments. I would like to report an issue that I am facing. I submitted a PwWorkchain calculation using the sscha … --- ## [Follow up question on multiple users for same database](https://aiida.discourse.group/t/follow-up-question-on-multiple-users-for-same-database/566)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 1\ **Last updated:** [March 21, 2025, 3:24pm UTC](https://aiida.discourse.group/t/follow-up-question-on-multiple-users-for-same-database/566 "2025-03-21T15:24:10Z")
I wanted to report back about my attempts on getting multiple users on the same database and rabbitmq. I was able to follow what was mentioned in the previous post Multiple users on same RabbitMQ and Postgres database. W… --- ## [Verdi computer test, Creating and Deleting Temporary fails when work\_dir is the scratch directory in HPC](https://aiida.discourse.group/t/verdi-computer-test-creating-and-deleting-temporary-fails-when-work-dir-is-the-scratch-directory-in-hpc/575)
**Author:** [@Afnan\_Shahid](https://aiida.discourse.group/u/Afnan_Shahid)\ **Replies:** 1\ **Last updated:** [March 3, 2025, 7:37pm UTC](https://aiida.discourse.group/t/verdi-computer-test-creating-and-deleting-temporary-fails-when-work-dir-is-the-scratch-directory-in-hpc/575 "2025-03-03T19:37:24Z")
Hi, I am new to aiida as well as hpc for highthroughput worklfow, so applogies in advance if I miss something obvious. So, the main issue is, verdi computer test is successful for all but the creation and deletion of t… --- ## [Google Summer Of Code 2025](https://aiida.discourse.group/t/google-summer-of-code-2025/529)
**Author:** [@Shivadharushni-M](https://aiida.discourse.group/u/Shivadharushni-M)\ **Replies:** 2\ **Last updated:** [February 5, 2025, 11:41am UTC](https://aiida.discourse.group/t/google-summer-of-code-2025/529 "2025-02-05T11:41:02Z")
My name is Shivadharushni M, and I am currently pursuing a B.Tech in Computer Science and Engineering (AI & ML) from Polaris and a BS in Data Science from IIT Madras. I have been following the AIIDA project for some time… --- ## [Multiple users on same RabbitMQ and Postgres database](https://aiida.discourse.group/t/multiple-users-on-same-rabbitmq-and-postgres-database/536)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 1\ **Last updated:** [February 4, 2025, 10:26pm UTC](https://aiida.discourse.group/t/multiple-users-on-same-rabbitmq-and-postgres-database/536 "2025-02-04T22:26:48Z")
Hello everyone, It’s been a while since I asked this question but I wanted to see how the functionality is currently working if there were to be multiple users that would want to access the same postgres database for Ai… --- ## [NEB implementation in Aiida WOrkgraph for QE](https://aiida.discourse.group/t/neb-implementation-in-aiida-workgraph-for-qe/535)
**Author:** [@Andrea](https://aiida.discourse.group/u/Andrea)\ **Replies:** 3\ **Last updated:** [February 3, 2025, 12:15pm UTC](https://aiida.discourse.group/t/neb-implementation-in-aiida-workgraph-for-qe/535 "2025-02-03T12:15:01Z")
Hi everyone, I have recently started to adopt Aiida in my research and so far i am blasted by its many functionalities. Kudos for the great work! Currently i am using the workgraph logic paired within the Quantum Espr… [Next page](https://aiida.discourse.group/tag/question/2.md?match_all_tags=true&page=1&tags%5B%5D=question)