Task 38674567
| Name | test_525-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0653_0 |
| Workunit | 31616598 |
| Created | 26 Oct 2026, 5:42:16 UTC |
| Sent | 26 Oct 2026, 5:42:22 UTC |
| Report deadline | 31 Oct 2026, 5:42:22 UTC |
| Received | 27 Oct 2026, 5:49:02 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628087 |
| Run time | 22 min 22 sec |
| CPU time | 22 min 22 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,809.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 775.63 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
13:46:13 (14880): wrapper (7.9.26016): starting
13:46:13 (14880): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
13:46:15 (14880): Library/usr/bin/tar.exe exited; CPU time 0.031250
13:46:15 (14880): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'D:\BOINCPROJECT\slots\4\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\BOINCPROJECT\slots\4\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "D:\BOINCPROJECT\slots\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 468, in get_posvel
self.positions = state.getPositions(asNumpy=True).value_in_unit(nanometers)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\openmm\unit\quantity.py", line 626, in value_in_unit
val = self.in_units_of(unit)
^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\openmm\unit\quantity.py", line 664, in in_units_of
return self._change_units_with_factor(other_unit, f)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCPROJECT\slots\4\Lib\site-packages\openmm\unit\quantity.py", line 676, in _change_units_with_factor
result = Quantity(copy.deepcopy(self._value), new_unit)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCPROJECT\slots\4\Lib\copy.py", line 153, in deepcopy
y = copier(memo)
^^^^^^^^^^^^
numpy.core._exceptions._ArrayMemoryError: Unable to allocate 1.24 MiB for an array with shape (54376, 3) and data type float64
14:10:21 (14880): C:/Windows/system32/cmd.exe exited; CPU time 1381.453125
14:10:21 (14880): app exit status: 0x16
14:10:21 (14880): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 58996593 bytes.
Dumping objects ->
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Object dump complete.
</stderr_txt>
]]>
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