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Problems installing a pseudo potential family #59

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sphuber opened this issue Apr 1, 2021 · 7 comments · Fixed by #60
Closed

Problems installing a pseudo potential family #59

sphuber opened this issue Apr 1, 2021 · 7 comments · Fixed by #60

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@sphuber
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sphuber commented Apr 1, 2021

Concerning the aiida-pseudo family, I have some problems during learning to use the aiida, the command "aiida-pseudo install SSSP" always fails at the third step"unpacking archives and parsing pseudos...", I downloaded the pseudo library, and extract the tar file, and with the command"verdi data upf uploadfamily path/to/folder name_of_the_family "some description for your convenience"" to create a pseudo family, however, the command "aiida-psrudo list" end up with the result"no pseudo potential families have been installed yet", why is that? I have been looking for solutions for a few days, little information could be abtained, since no instruction for install pseudo family offline at all. Could you please tell me what I missed to install the pseudo family? Thanks very much.

Originally posted by @Angmar1989 in #56 (comment)

@sphuber
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sphuber commented Apr 1, 2021

If you install with the old way of verdi data upf uploadfamily it will not create a family that aiida-pseudo list recognizes, that is why it doesn't find it. If you run verdi group list you should see it however, since the family is just a Group. If you want to work with aiida-pseudo you have to install it through aiida-pseudo install. Can you give the exact error message when you run aiida-pseudo install sssp? Please run it with the -t option to get the full traceback.

@Angmar1989
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If you install with the old way of verdi data upf uploadfamily it will not create a family that aiida-pseudo list recognizes, that is why it doesn't find it. If you run verdi group list you should see it however, since the family is just a Group. If you want to work with aiida-pseudo you have to install it through aiida-pseudo install. Can you give the exact error message when you run aiida-pseudo install sssp? Please run it with the -t option to get the full traceback.

QQ图片20210401150531

@sphuber
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sphuber commented Apr 1, 2021

Please run with the -t option so aiida-pseudo install sssp -t

@Angmar1989
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Please run with the -t option so aiida-pseudo install sssp -t

I'm trying, the network speed is unstable and low.

@Angmar1989
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Please run with the -t option so aiida-pseudo install sssp -t

I found I could use command: "aiida-pseudo install family -F tar ~/SSSP_efficiency_pseudos.tar.gz sssp_1.1_efficiency" to install a downloaded tar pseudo library file, but new problems
QQ图片20210401151904

@sphuber
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sphuber commented Apr 1, 2021

that is because you should specify which family type to use. I think the following should work

aiida-pseudo install family -F gztar -T pseudo.family.sssp SSSP_efficiency_pseudos.tar.gz SSSP/1.1/PBE/efficiency

Note that using the SSSP/1.1/PBE/efficiency label is very important if you want the aiida-quantumespresso tools to automatically detect it.

@Angmar1989
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that is because you should specify which family type to use. I think the following should work

aiida-pseudo install family -F gztar -T pseudo.family.sssp SSSP_efficiency_pseudos.tar.gz SSSP/1.1/PBE/efficiency

Note that using the SSSP/1.1/PBE/efficiency label is very important if you want the aiida-quantumespresso tools to automatically detect it.

It works! thank you very much!!!

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