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Jusong Yu
Mar 20
Google summer of code (GSoC) 2023 with AiiDA
Dear aiidausers, AiiDA is back on track in Google Summer of Code (GSOC) 2023 as the sub-organization
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Google summer of code (GSoC) 2023 with AiiDA
Dear aiidausers, AiiDA is back on track in Google Summer of Code (GSOC) 2023 as the sub-organization
Mar 20
Marina Günthert
Mar 8
Tutorial in 2023
Hi everyone, I just started my PhD thesis in Quantum Chemistry and Material Science and want to learn
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event
tutorial
Tutorial in 2023
Hi everyone, I just started my PhD thesis in Quantum Chemistry and Material Science and want to learn
Mar 8
Pol Sanz Berman
Feb 28
Error in workchain - paramiko.buffered_pipe.PipeTimeout
Hello, everyone. I've been working on an aiida and aiida-vasp workchain. My calculations appear
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Error in workchain - paramiko.buffered_pipe.PipeTimeout
Hello, everyone. I've been working on an aiida and aiida-vasp workchain. My calculations appear
Feb 28
Otto Kohulák
,
Sebastiaan Huber
3
Feb 7
Problems with entry points
Dear Sebastiaan, this is exactly what I was looking for. Thanks a lot. Best, O. po 6. 2. 2023 o 21:57
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Problems with entry points
Dear Sebastiaan, this is exactly what I was looking for. Thanks a lot. Best, O. po 6. 2. 2023 o 21:57
Feb 7
Kayahan Saritas
,
Sebastiaan Huber
3
Feb 3
Flexibility of multi-computer (client) setups and workchain restarts
Thank you for the detailed answers, Kayahan On Friday, February 3, 2023 at 2:54:44 AM UTC-5 ma...@
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Flexibility of multi-computer (client) setups and workchain restarts
Thank you for the detailed answers, Kayahan On Friday, February 3, 2023 at 2:54:44 AM UTC-5 ma...@
Feb 3
Kayahan Saritas
,
Sebastiaan Huber
2
Feb 3
Configuring aiida for remote clusters with ssh restrictions
Hi Kayahan, Hello, I am a new user interested in using aiida in my daily work. I have read through
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Configuring aiida for remote clusters with ssh restrictions
Hi Kayahan, Hello, I am a new user interested in using aiida in my daily work. I have read through
Feb 3
Holger Sassnick
, …
Jusong Yu
6
Jan 18
A few questions about a server or multi-user setup for AiiDA
Dear Jason, thank you for the response, I will then try out the different images and see if I can
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A few questions about a server or multi-user setup for AiiDA
Dear Jason, thank you for the response, I will then try out the different images and see if I can
Jan 18
Eleni Chatzikyriakou
,
Junfeng Qiao
3
12/17/22
protocols for aiida quantumespresso
Hello Junfeng, And thank you for the reply. Maybe it's something very obvious that I was missing,
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protocols for aiida quantumespresso
Hello Junfeng, And thank you for the reply. Maybe it's something very obvious that I was missing,
12/17/22
Jonathan Chico
,
Sebastiaan Huber
3
12/16/22
Calculation with dynamic inputs
Hi Sebastiaan Yes that is precisely what I was thinking about! Thanks for the explanation, I'll
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Calculation with dynamic inputs
Hi Sebastiaan Yes that is precisely what I was thinking about! Thanks for the explanation, I'll
12/16/22
Sean Muir
12/7/22
Issue with Google Cloud VM
Hi Everyone, I am a new user (or trying to be) of Quantum Mobile. I have set up a Google Cloud
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Issue with Google Cloud VM
Hi Everyone, I am a new user (or trying to be) of Quantum Mobile. I have set up a Google Cloud
12/7/22
lei qiao
, …
Espen Flage-Larsen
8
11/28/22
No vasp.potcar in aiida.group
Hi there Lei, Okey, thanks for letting us know. Most important thing is that you have solved the
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No vasp.potcar in aiida.group
Hi there Lei, Okey, thanks for letting us know. Most important thing is that you have solved the
11/28/22
lei qiao
,
mail
3
11/27/22
Problem with install external codes
Dear Sebastiaan OK, I understand, thank you so much for your quick reply. Best, Lei 在2022年11月27日星期日
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Problem with install external codes
Dear Sebastiaan OK, I understand, thank you so much for your quick reply. Best, Lei 在2022年11月27日星期日
11/27/22
Eleni Chatzikyriakou
11/22/22
Problem with aiida-tbmodels module
Hello, I don't know if this module is still maintained, I have managed to make it run with aiida-
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Problem with aiida-tbmodels module
Hello, I don't know if this module is still maintained, I have managed to make it run with aiida-
11/22/22
Jusong Yu
11/17/22
AiiDA hackathon 2022 - final schedule
Dear aiidausers, We are glad to announce the schedule of the hackathon for the coming Monday/Tuesday.
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AiiDA hackathon 2022 - final schedule
Dear aiidausers, We are glad to announce the schedule of the hackathon for the coming Monday/Tuesday.
11/17/22
Matthew Pham
, …
Sebastiaan Huber
4
11/8/22
variable expose_outputs
Thank you very much Bonan and Sebastiaan. These examples are very helpful and exactly what I was
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variable expose_outputs
Thank you very much Bonan and Sebastiaan. These examples are very helpful and exactly what I was
11/8/22
Sylvian Cadars
, …
Daniel Marchand
7
11/8/22
Remote computer does not accept mem specification
Agh, my bad, yes that makes sense then!
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Remote computer does not accept mem specification
Agh, my bad, yes that makes sense then!
11/8/22
Sebastiaan Huber
11/7/22
AiiDA v2.1 released
Dear AiiDA users, We are pleased to announce that AiiDA v2.1 was just released [1]. It can be
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AiiDA v2.1 released
Dear AiiDA users, We are pleased to announce that AiiDA v2.1 was just released [1]. It can be
11/7/22
Jusong Yu
11/2/22
The AiiDA 2.x plugin hackathon - Nov 21st/22nd
Dear AiiDA users, We are holding 2 days online + in-person (at EPFL Lausanne) mixed AiiDA plugin
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The AiiDA 2.x plugin hackathon - Nov 21st/22nd
Dear AiiDA users, We are holding 2 days online + in-person (at EPFL Lausanne) mixed AiiDA plugin
11/2/22
Witty Yonng
,
Zhu, Bonan
2
10/24/22
how to get the group name of the node
Hi Witty, Not sure if there are other shortcuts, but you can do this with QueryBuilder: QueryBuilder(
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how to get the group name of the node
Hi Witty, Not sure if there are other shortcuts, but you can do this with QueryBuilder: QueryBuilder(
10/24/22
Witty Yonng
10/24/22
verdi archive problem
Hi all, After I exported data by "verdi archive create my-calculations.aiida --all", I
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verdi archive problem
Hi all, After I exported data by "verdi archive create my-calculations.aiida --all", I
10/24/22
Witty Yonng
,
mail
3
10/24/22
how to restart process?
Thanks. It works. 杨珺婷 yangj...@westlake.edu.cn 签名由 网易邮箱大师 定制 On 10/24/2022 13:48,mail<mail@
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how to restart process?
Thanks. It works. 杨珺婷 yangj...@westlake.edu.cn 签名由 网易邮箱大师 定制 On 10/24/2022 13:48,mail<mail@
10/24/22
Nathan Keilbart
, …
Jens Bröder
4
10/21/22
AiiDA scaling
I appreciate the feedback from both of you. I will be having my first meeting to discuss the project
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AiiDA scaling
I appreciate the feedback from both of you. I will be having my first meeting to discuss the project
10/21/22
Witty Yonng
,
Sebastiaan Huber
2
10/21/22
postgresql error
Hi Witty, It seems that the PostgreSQL server may be down. Checking what the problem is depends on
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postgresql error
Hi Witty, It seems that the PostgreSQL server may be down. Checking what the problem is depends on
10/21/22
Witty Yonng
, …
RITA MAJI
5
10/19/22
'quantumespresso.dynmat' doesn't exist
Hi, Thanks for your reply. I have opened an issue. I am now running the same calculation without
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'quantumespresso.dynmat' doesn't exist
Hi, Thanks for your reply. I have opened an issue. I am now running the same calculation without
10/19/22
Peter Gillespie
,
Sebastiaan Huber
5
10/18/22
Setting Up the Test Profile
Hi Sebastiaan, Thanks again for your help, as well as taking the time to explain that last part, very
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Setting Up the Test Profile
Hi Sebastiaan, Thanks again for your help, as well as taking the time to explain that last part, very
10/18/22
nidhi
, …
Nathan Keilbart
3
10/10/22
How to install aiida on a remote cluster without root access?
Hi Nidhi, I have been able to install AiiDA on one of the login nodes of my cluster but I had to have
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How to install aiida on a remote cluster without root access?
Hi Nidhi, I have been able to install AiiDA on one of the login nodes of my cluster but I had to have
10/10/22
Eleni Chatzikyriakou
,
Sebastiaan Huber
3
10/9/22
Cannot initialize quantumespresso.pwimmigrant calculation class
Hello Sebastiaan, I saw the importer functionality, but it looked a lot of work (since I'm not
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Cannot initialize quantumespresso.pwimmigrant calculation class
Hello Sebastiaan, I saw the importer functionality, but it looked a lot of work (since I'm not
10/9/22
Witty Yonng
,
Sebastiaan Huber
2
10/8/22
Is "aiida.in" retrieved by AiiDA?
Hi Witty, The input files generated by the `CalcJob` plugin are stored on the `CalcJobNode` itself.
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Is "aiida.in" retrieved by AiiDA?
Hi Witty, The input files generated by the `CalcJob` plugin are stored on the `CalcJobNode` itself.
10/8/22
Nathan Keilbart
, …
Sebastiaan Huber
10
10/6/22
AiiDA appears to drop connection
Sorry I took a while to answer the Rabbit MQ version. I have v3.8.9 running and I'm not sure
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AiiDA appears to drop connection
Sorry I took a while to answer the Rabbit MQ version. I have v3.8.9 running and I'm not sure
10/6/22
Thiago Trevizam Dorini
,
Sebastiaan Huber
2
9/8/22
QE and VASP plugin does not appear
Hi Thiago, Can you give a bit more detail on your installation. For example what is the AiiDA version
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QE and VASP plugin does not appear
Hi Thiago, Can you give a bit more detail on your installation. For example what is the AiiDA version
9/8/22