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A test suite for the VASP electronic structure code

License: Apache License 2.0

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gougoudata hijau maxhutch pdoakornl wenliwyan altynbekm wscullin halinh akesandgren dbwz8 espenfl soumyajyotih kyujungjun degeron wangvei c3se mahines mkhorton zhu-liu quantummisaka

vasptest's Issues

update readme

When using this test suite on your own computer or HPC, it is better to delete the Custom.feature first, which requires some special compilation settings of VASP. If not, the program might get stuck at the stage of the Custom.feature test .

How can I find the log of vasp

I just run the script and got 4 fails, one of them is

Scenario: SO3 
    Given that the POTCAR MD5 is 4823c0c64273f99ca3a80cb37ea000eb
    When I run VASP with a maximum of 16 ranks
      Assertion Failed: VASP exited with error or crashed.

So where is the log of vasp (if keeped)...I wanna read the log and find the reason of crashing...

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