deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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BAD TERMINATION for abacus (install by conda) #3169

Closed AroundPeking closed 2 months ago

AroundPeking commented 11 months ago

Describe the bug

The same test, which gave proper results for abacus installed by cmake, however, stopped at RPA calculation for abacus installed by conda.

Files given here: test.zip

Expected behavior

No response

To Reproduce

Latest abacus installed by conda like http://abacus.deepmodeling.com/en/latest/quick_start/easy_install.html#install-by-conda

Environment

No response

Additional Context

No response

Task list for Issue attackers (only for developers)

mohanchen commented 8 months ago

Did ABACUS support RPA calculations now?

caic99 commented 2 months ago

Hi @AroundPeking , I've tested your case under my environment and it works well. Would you mind reinstalling abacus following the steps here and try again? Thanks.

AroundPeking commented 2 months ago

Thanks! It works well now. ABACUS can be easily installed by conda.