Task 38669128
| Name | test_301-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND0594_0 |
| Workunit | 31611514 |
| Created | 25 Oct 2026, 13:43:51 UTC |
| Sent | 25 Oct 2026, 13:43:54 UTC |
| Report deadline | 30 Oct 2026, 13:43:54 UTC |
| Received | 27 Oct 2026, 22:53:52 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 561090 |
| Run time | 40 min 42 sec |
| CPU time | 40 min 42 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.94 GB |
| Peak swap size | 3.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:02:48 (27232): wrapper (7.9.26016): starting
06:02:48 (27232): 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
06:02:50 (27232): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:02:50 (27232): 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 'C:\ProgramData\BOINC\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 'C:\ProgramData\BOINC\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x000002001CC56C20, 8 bytes long.
Data: < > 00 00 C1 1C 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000002001CCD4350, 1080 bytes long.
Data: < i > 1C 69 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002001CC61B30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:51:36 (14408): wrapper (7.9.26016): starting
17:51:36 (14408): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
raise ValueError("Invalid input string")
ValueError: Invalid input string
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\ProgramData\BOINC\slots\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
stateid = self.status[repl]['stateid_current']
^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
return object.__getattribute__(self,name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
17:52:31 (14408): C:/Windows/system32/cmd.exe exited; CPU time 18.593750
17:52:31 (14408): app exit status: 0x16
17:52:31 (14408): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 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: 830544 bytes.
Dumping objects ->
{1541} normal block at 0x00000252E184D610, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x00000252E184D530, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x00000252E184D290, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x00000252E184D1B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x00000252E184CFF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x00000252E183B2A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1453} normal block at 0x00000252E1851970, 8 bytes long.
Data: < R > 00 00 81 E1 52 02 00 00
{301} normal block at 0x00000252E1851AB0, 8 bytes long.
Data: <`< R > 60 3C 85 E1 52 02 00 00
{292} normal block at 0x00000252E1836410, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000252E18514C0, 16 bytes long.
Data: <h; R > 68 3B 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000252E1851F10, 16 bytes long.
Data: <@; R > 40 3B 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000252E184B770, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000252E18523C0, 16 bytes long.
Data: < ; R > 18 3B 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000252E1851560, 16 bytes long.
Data: < : R > F0 3A 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000252E1852320, 16 bytes long.
Data: < : R > C8 3A 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000252E1851470, 16 bytes long.
Data: < : R > A0 3A 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000252E184D5A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000252E1851DD0, 16 bytes long.
Data: < c R > A8 63 83 E1 52 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000252E184B3B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000252E1852370, 16 bytes long.
Data: < c R > 80 63 83 E1 52 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000252E1851D80, 16 bytes long.
Data: <Xc R > 58 63 83 E1 52 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000252E18520F0, 16 bytes long.
Data: <0c R > 30 63 83 E1 52 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000252E1851B50, 16 bytes long.
Data: < c R > 08 63 83 E1 52 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000252E1851830, 16 bytes long.
Data: < b R > E0 62 83 E1 52 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000252E1851D30, 16 bytes long.
Data: < b R > B8 62 83 E1 52 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000252E184BA10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000252E1851CE0, 16 bytes long.
Data: < b R > 90 62 83 E1 52 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000252E1836290, 320 bytes long.
Data: < R R > E0 1C 85 E1 52 02 00 00 10 BA 84 E1 52 02 00 00
{271} normal block at 0x00000252E1851B00, 16 bytes long.
Data: < : R > 80 3A 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000252E18520A0, 16 bytes long.
Data: <X: R > 58 3A 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000252E184B8F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000252E1851A60, 16 bytes long.
Data: <0: R > 30 3A 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000252E184AED0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000252E1851BF0, 16 bytes long.
Data: <x9 R > 78 39 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000252E18516F0, 16 bytes long.
Data: <P9 R > 50 39 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000252E18516A0, 16 bytes long.
Data: <(9 R > 28 39 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000252E1851E20, 16 bytes long.
Data: < 9 R > 00 39 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000252E1851C90, 16 bytes long.
Data: < 8 R > D8 38 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000252E1851F60, 16 bytes long.
Data: < 8 R > B0 38 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000252E1851A10, 16 bytes long.
Data: <p R > 70 D3 84 E1 52 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000252E184D370, 40 bytes long.
Data: < R R > 10 1A 85 E1 52 02 00 00 A0 B2 83 E1 52 02 00 00
{257} normal block at 0x00000252E1851920, 16 bytes long.
Data: < 8 R > 90 38 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000252E1851BA0, 16 bytes long.
Data: <h8 R > 68 38 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000252E184B830, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000252E1851650, 16 bytes long.
Data: <@8 R > 40 38 85 E1 52 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000252E1853840, 992 bytes long.
Data: <P R 0 R > 50 16 85 E1 52 02 00 00 30 B8 84 E1 52 02 00 00
{89} normal block at 0x00000252E184B530, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000252E18468C0, 16 bytes long.
Data: < R > C0 D4 84 E1 52 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000252E184D4C0, 40 bytes long.
Data: < h R 0 R > C0 68 84 E1 52 02 00 00 30 B5 84 E1 52 02 00 00
{66} normal block at 0x00000252E1846690, 16 bytes long.
Data: < W > 80 EA BA 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000252E18465F0, 16 bytes long.
Data: <@ W > 40 E9 BA 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000252E1846550, 16 bytes long.
Data: < W W > F8 57 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000252E1846500, 16 bytes long.
Data: < W W > D8 57 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000252E1845EC0, 16 bytes long.
Data: <P W > 50 04 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000252E1845E70, 16 bytes long.
Data: <0 W > 30 04 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000252E1845F10, 16 bytes long.
Data: < W > E0 02 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000252E1846000, 16 bytes long.
Data: < W > 10 04 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000252E1845E20, 16 bytes long.
Data: <p W > 70 04 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000252E18464B0, 16 bytes long.
Data: < W > 18 C0 B5 57 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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