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ulissigroup / vasp-interactive

GNU Lesser General Public License v2.1
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vasp process not terminated if in paused mode #24

Closed alchem0x2A closed 2 years ago

alchem0x2A commented 2 years ago

if vasp's MPI process is paused, calling calc.close() might not cleanly terminate vasp as the poll does not return. While the zombie vasp processes are not taking CPU, the memory is not releases.

proposed solutions:

  1. force awake vasp interactive when calling close / kill functions
  2. allow psutils to kill processes
alchem0x2A commented 2 years ago

latest commits fix this bug. close