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LammpsLibrary hangs on close

Open pmrv opened this issue 4 months ago • 12 comments

With the latest version, 0.2.13, the interactive lammps sessions work, but don't properly clean up. Running the snippet below never finishes (on the cmti cluster)

from pylammpsmpi import LammpsLibrary
import pylammpsmpi

lmp = LammpsLibrary(2)

lmp.version, pylammpsmpi.__version__

lmp.close() # <- hangs indefinitely 

I've watched the lmpmpi.py process with top, and it does disappear when close is called, but apparently that's not properly communicated back to the foreground process.

When I run this snippet on my laptop in a fresh conda environment it hangs similarly, but also prints this warning

[cmleo38:13075] mca_base_component_repository_open: unable to open mca_btl_openib: librdmacm.so.1: cannot open shared object file: No such file or directory (ignored)
[cmleo38:13074] mca_base_component_repository_open: unable to open mca_btl_openib: librdmacm.so.1: cannot open shared object file: No such file or directory (ignored)

pmrv avatar Feb 15 '24 15:02 pmrv