Timeout in MagneticStructureEnumerator (and EnumlibAdaptor) does not work

[fraricci]

Python version

3.11.5

Pymatgen version

2024.11.13

Operating system version

No response

Current behavior

enum = MagneticStructureEnumerator(structure) should stop after 5 minutes by default,
but it does not. Passing a different timeout does not change anything. I'm now making sure that the timeout arg is passed to the EnumlibAdaptor (see bug in #4184).

I did some tests but I could not figure out why the enum.x process does not get killed.
The main logic from

pymatgen/src/pymatgen/command_line/enumlib_caller.py

Line 281 in 31f1e1f

def _run_multienum(self):

is here:

    def _run_multienum(self):
        with subprocess.Popen([enum_cmd], stdout=subprocess.PIPE, stdin=subprocess.PIPE, close_fds=True) as process:
            if self.timeout:
                timed_out = False
                timer = Timer(self.timeout*60, lambda p: p.kill(), [process])

                try:
                    timer.start()
                    output = process.communicate()[0].decode("utf-8")
                finally:
                    if not timer.is_alive():
                        timed_out = True
                    timer.cancel()

                if timed_out:
                    raise TimeoutError("Enumeration took too long")

            else:
                output = process.communicate()[0].decode("utf-8")

It seems the the process stops communicating. I tried to use the timeout argument
of the process.communicate() method but it does not work neither.

One thing that worked correctly is the same code above with
enum_cmd="/usr/bin/sleep 6000". This process gets killed as it should.

I have the same behavior both in my laptop and on perlmutter.

Any thoughts about what's causing this?

Expected Behavior

enum = MagneticStructureEnumerator(structure) should stop after 5 minutes by default.

Minimal example

No response

Relevant files to reproduce this bug

No response