Task 38628929

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
process exited with code 195 (0xc3, -61)</message>
<stderr_txt>
2026-04-25 01:43:58 (75929): wrapper (8.1.26018): starting
2026-04-25 01:44:51 (75929): wrapper: running bin/python (bin/conda-unpack)
2026-04-25 01:44:51 (75929): wrapper: created child process 75931
2026-04-25 01:44:52 (75929): bin/python exited; CPU time 0.204808
2026-04-25 01:44:52 (75929): wrapper: running bin/tar (xjvf input.tar.bz2)
2026-04-25 01:44:52 (75929): wrapper: created child process 75932
2026-04-25 01:44:54 (75929): bin/tar exited; CPU time 1.274990
2026-04-25 01:44:54 (75929): wrapper: running bin/bash (run.sh)
2026-04-25 01:44:54 (75929): wrapper: created child process 75934
+ echo 'Setup environment'
+ source bin/activate
++ _conda_pack_activate
++ local _CONDA_SHELL_FLAVOR
++ '[' -n x ']'
++ _CONDA_SHELL_FLAVOR=bash
++ local script_dir
++ case "$_CONDA_SHELL_FLAVOR" in
+++ dirname bin/activate
++ script_dir=bin
+++ cd bin
+++ pwd
++ local full_path_script_dir=/home/bibi/boinc/slots/0/bin
+++ dirname /home/bibi/boinc/slots/0/bin
++ local full_path_env=/home/bibi/boinc/slots/0
+++ basename /home/bibi/boinc/slots/0
++ local env_name=0
++ '[' -n '' ']'
++ export CONDA_PREFIX=/home/bibi/boinc/slots/0
++ CONDA_PREFIX=/home/bibi/boinc/slots/0
++ export _CONDA_PACK_OLD_PS1=
++ _CONDA_PACK_OLD_PS1=
++ PATH=/home/bibi/boinc/slots/0/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
++ PS1='(0) '
++ case "$_CONDA_SHELL_FLAVOR" in
++ hash -r
++ local _script_dir=/home/bibi/boinc/slots/0/etc/conda/activate.d
++ '[' -d /home/bibi/boinc/slots/0/etc/conda/activate.d ']'
+ export PATH=/home/bibi/boinc/slots/0:/home/bibi/boinc/slots/0/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ PATH=/home/bibi/boinc/slots/0:/home/bibi/boinc/slots/0/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ echo 'Create a temporary directory'
+ export TMP=/home/bibi/boinc/slots/0/tmp
+ TMP=/home/bibi/boinc/slots/0/tmp
+ mkdir -p /home/bibi/boinc/slots/0/tmp
+ echo 'Configure AToM'
+ echo localhost,0:1,1,CUDA,,/home/bibi/boinc/slots/0/tmp
+ FILE=starting_sample
+ '[' -f starting_sample ']'
+ echo 'starting_sample does not exist.'
+ echo 'Install ATM and deps'
+ python -m pip list
+ python -m pip install pyaml -v
+ python -m pip install --no-dependencies atom-openmm -v
+ python -m pip list
+ echo 'Extract restart'
+ tar xjvf restart.tar.bz2
+ echo 'Run AToM'
+ CONFIG_FILE=QB_A31_A23_input.yaml
+ python bin/rbfe_production QB_A31_A23_input.yaml
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "/home/bibi/boinc/slots/0/bin/rbfe_production", line 8, in <module>
    sys.exit(rbfe_production())
             ^^^^^^^^^^^^^^^^^
  File "/home/bibi/boinc/slots/0/lib/python3.11/site-packages/atom_openmm/rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "/home/bibi/boinc/slots/0/lib/python3.11/site-packages/atom_openmm/openmm_async_re.py", line 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/bibi/boinc/slots/0/lib/python3.11/site-packages/atom_openmm/ommworker.py", line 53, in __init__
    self.start_worker()
  File "/home/bibi/boinc/slots/0/lib/python3.11/site-packages/atom_openmm/ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "/home/bibi/boinc/slots/0/lib/python3.11/site-packages/atom_openmm/ommworker.py", line 265, in _openmm_worker_makecontext
    self.simulation.loadState(self.basename + "_0.xml")
  File "/home/bibi/boinc/slots/0/lib/python3.11/site-packages/openmm/app/simulation.py", line 359, in loadState
    with open(file, 'r') as f:
         ^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A31_A23_0.xml'
2026-04-25 01:45:09 (75929): bin/bash exited; CPU time 14.933470
2026-04-25 01:45:09 (75929): app exit status: 0x1
2026-04-25 01:45:09 (75929): called boinc_finish(195)

</stderr_txt>
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