Task 38671075
| Name | test_736-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND7362_0 |
| Workunit | 31613294 |
| Created | 25 Oct 2026, 19:28:21 UTC |
| Sent | 25 Oct 2026, 19:28:26 UTC |
| Report deadline | 30 Oct 2026, 19:28:26 UTC |
| Received | 25 Oct 2026, 19:36:20 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643627 |
| Run time | 1 min 10 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 26.08 MB |
| Peak swap size | 11.33 MB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run z�,�.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:29:51 (28660): wrapper (7.9.26016): starting
14:29:51 (28660): 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
14:29:52 (28660): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:29:52 (28660): 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\24\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\24\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 "C:\ProgramData\BOINC\slots\24\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\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 "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\openmm\app\pdbfile.py", line 117, in __init__
if atomName in processedAtomNames or atom.residue_name != residue.get_name():
^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\openmm\app\internal\pdbstructure.py", line 577, in get_name
alt_loc = self.primary_location_id
^^^^^^^^^^^^^^^^^^^^^^^^
TypeError: 'Location' object does not support the context manager protocol
14:30:05 (28660): C:/Windows/system32/cmd.exe exited; CPU time 0.359375
14:30:05 (28660): app exit status: 0x16
14:30:05 (28660): 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: 731227 bytes.
Dumping objects ->
{3835497} normal block at 0x000001EDFA835670, 48 bytes long.
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{3835486} normal block at 0x000001EDFA835600, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x000001EDFA8353D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835464} normal block at 0x000001EDFA835360, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835453} normal block at 0x000001EDFA8352F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835422} normal block at 0x000001EDFC5597D0, 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) : {3835409} normal block at 0x000001EDFA82FBE0, 8 bytes long.
Data: < Ðúí > 00 00 D0 FA ED 01 00 00
{3833969} normal block at 0x000001EDFA82FE60, 8 bytes long.
Data: <@Í…úí > 40 CD 85 FA ED 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001EDFA832900, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001EDFA8274C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001EDFA8365A0, 16 bytes long.
Data: <Hrƒúí > 48 72 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001EDFA836870, 16 bytes long.
Data: < rƒúí > 20 72 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001EDFA82DAE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001EDFA835F60, 16 bytes long.
Data: <øqƒúí > F8 71 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EDFA836550, 16 bytes long.
Data: <Ðqƒúí > D0 71 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EDFA836050, 16 bytes long.
Data: <¨qƒúí > A8 71 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EDFA836460, 16 bytes long.
Data: < qƒúí > 80 71 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EDFA8357C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001EDFA8369B0, 16 bytes long.
Data: <øù úí > F8 F9 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EDFA82DEA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001EDFA836320, 16 bytes long.
Data: <Ðù úí > D0 F9 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EDFA836000, 16 bytes long.
Data: <¨ù úí > A8 F9 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EDFA835FB0, 16 bytes long.
Data: < ù úí > 80 F9 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EDFA8363C0, 16 bytes long.
Data: <Xù úí > 58 F9 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EDFA836230, 16 bytes long.
Data: <0ù úí > 30 F9 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EDFA836410, 16 bytes long.
Data: < ù úí > 08 F9 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EDFA82E380, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001EDFA836280, 16 bytes long.
Data: <àø úí > E0 F8 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EDFA81F8E0, 320 bytes long.
Data: < bƒúí ã‚úí > 80 62 83 FA ED 01 00 00 80 E3 82 FA ED 01 00 00
{280} normal block at 0x000001EDFA836AF0, 16 bytes long.
Data: <`qƒúí > 60 71 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EDFA8367D0, 16 bytes long.
Data: <8qƒúí > 38 71 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EDFA82DF60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001EDFA836A50, 16 bytes long.
Data: < qƒúí > 10 71 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EDFA82E2C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001EDFA836D20, 16 bytes long.
Data: <Xpƒúí > 58 70 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EDFA836D70, 16 bytes long.
Data: <0pƒúí > 30 70 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EDFA836500, 16 bytes long.
Data: < pƒúí > 08 70 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EDFA836960, 16 bytes long.
Data: <àoƒúí > E0 6F 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EDFA836820, 16 bytes long.
Data: <¸oƒúí > B8 6F 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EDFA836730, 16 bytes long.
Data: < oƒúí > 90 6F 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EDFA8360F0, 16 bytes long.
Data: <@Tƒúí > 40 54 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EDFA835440, 40 bytes long.
Data: <ð`ƒúí ЗUüí > F0 60 83 FA ED 01 00 00 D0 97 55 FC ED 01 00 00
{266} normal block at 0x000001EDFA8364B0, 16 bytes long.
Data: <poƒúí > 70 6F 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EDFA8360A0, 16 bytes long.
Data: <Hoƒúí > 48 6F 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EDFA82DDE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001EDFA8366E0, 16 bytes long.
Data: < oƒúí > 20 6F 83 FA ED 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EDFA836F20, 992 bytes long.
Data: <àfƒúí àÝ‚úí > E0 66 83 FA ED 01 00 00 E0 DD 82 FA ED 01 00 00
{98} normal block at 0x000001EDFA82DD20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001EDFA8309A0, 16 bytes long.
Data: < ì úí > 20 EC 81 FA ED 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001EDFA81EC20, 40 bytes long.
Data: <  ƒúí Ý‚úí > A0 09 83 FA ED 01 00 00 20 DD 82 FA ED 01 00 00
{75} normal block at 0x000001EDFA8307C0, 16 bytes long.
Data: < ê÷Ðö > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001EDFA82FF50, 16 bytes long.
Data: <@é÷Ðö > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001EDFA8306D0, 16 bytes long.
Data: <øWôÐö > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001EDFA830590, 16 bytes long.
Data: <ØWôÐö > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001EDFA830400, 16 bytes long.
Data: <P ôÐö > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EDFA830540, 16 bytes long.
Data: <0 ôÐö > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EDFA82FCD0, 16 bytes long.
Data: <à ôÐö > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EDFA830770, 16 bytes long.
Data: < ôÐö > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EDFA830950, 16 bytes long.
Data: <p ôÐö > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EDFA830A40, 16 bytes long.
Data: < ÀòÐö > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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