How to deal with this error? about dpgen HOT 10 CLOSED

Maybe related to deepmodeling/dpdata#109... (CC @amcadmus @zezhong-zhang @felix5572 )

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@funan-jhc-lee please report the version of dpgen and dpdata

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@funan-jhc-lee please report the version of dpgen and dpdata

deepmd-kit 1.2.0
dpdata 0.1.17
dpgen 0.8.0

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Maybe related to deepmodeling/dpdata#109... (CC @amcadmus @zezhong-zhang @felix5572 )

Sorry，I‘m quite not good with github. Should I edit the System.py like what it was changed in this pull request? I have edited System.py, but it seems not working. Thanks a lot !

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Maybe related to deepmodeling/dpdata#109... (CC @amcadmus @zezhong-zhang @felix5572 )

Sorry，I‘m quite not good with github. Should I edit the System.py like what it was changed in this pull request? I have edited System.py, but it seems not working. Thanks a lot !

How do you edit it? If you edit on the source code, you need to use pip install . (. is the directory of setup.py) to install it.

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Maybe related to deepmodeling/dpdata#109... (CC @amcadmus @zezhong-zhang @felix5572 )

Sorry，I‘m quite not good with github. Should I edit the System.py like what it was changed in this pull request? I have edited System.py, but it seems not working. Thanks a lot !

How do you edit it? If you edit on the source code, you need to use pip install . (. is the directory of setup.py) to install it.

I edited the file in the path appearing in the error message that I uploaded :/public/home/liyue/deepmd-kit/lib/python3.7/site-packages/dpdata/system.py. Should I install dpdata again?
I tried to use dpdata to read in results(OUTCAR) of all fp tasks, and found there is some system contaning no frame "MultiSystems (1 systems containing 0 frames)" . Is this where the error comes from? Thanks a lot for your reply！

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Maybe related to deepmodeling/dpdata#109... (CC @amcadmus @zezhong-zhang @felix5572 )

Sorry，I‘m quite not good with github. Should I edit the System.py like what it was changed in this pull request? I have edited System.py, but it seems not working. Thanks a lot !

How do you edit it? If you edit on the source code, you need to use pip install . (. is the directory of setup.py) to install it.

I edited the file in the path appearing in the error message that I uploaded :/public/home/liyue/deepmd-kit/lib/python3.7/site-packages/dpdata/system.py. Should I install dpdata again?
I tried to use dpdata to read in results(OUTCAR) of all fp tasks, and found there is some system contaning no frame "MultiSystems (1 systems containing 0 frames)" . Is this where the error comes from? Thanks a lot for your reply！

Please upgrade the dpdata to the newest version pip install -U dpdata. If the error still appears, please upload the OUTCAR here. Thanks!

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Maybe related to deepmodeling/dpdata#109... (CC @amcadmus @zezhong-zhang @felix5572 )

Sorry，I‘m quite not good with github. Should I edit the System.py like what it was changed in this pull request? I have edited System.py, but it seems not working. Thanks a lot !

How do you edit it? If you edit on the source code, you need to use pip install . (. is the directory of setup.py) to install it.

I edited the file in the path appearing in the error message that I uploaded :/public/home/liyue/deepmd-kit/lib/python3.7/site-packages/dpdata/system.py. Should I install dpdata again?
I tried to use dpdata to read in results(OUTCAR) of all fp tasks, and found there is some system contaning no frame "MultiSystems (1 systems containing 0 frames)" . Is this where the error comes from? Thanks a lot for your reply！

Please upgrade the dpdata to the newest version pip install -U dpdata. If the error still appears, please upload the OUTCAR here. Thanks!

I upgraded the dpdata to 0.1.19 but there comes a new error, I am tring using dpgen to get a deep-potential for PtNi alloy system. Here are two examples of tasks in 02.fp. Thanks a lot!

task.000.000006.zip
task.000.000101.zip

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@funan-jhc-lee So, I found one is Pt4Ni12 and another one is Pt11Ni5... Is it expected as you set, or a bug of dpgen?

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Thanks a lot! I contained diffrent systems into one element when setting "sys_configs" , and this caused this error.

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