Task 38684792
| Name | test_137-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND1398_0 |
| Workunit | 31626296 |
| Created | 27 Oct 2026, 17:59:55 UTC |
| Sent | 27 Oct 2026, 17:59:57 UTC |
| Report deadline | 1 Nov 2026, 17:59:57 UTC |
| Received | 27 Oct 2026, 18:56:15 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 653012 |
| Run time | 2 min 32 sec |
| CPU time | 2 min 5 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 20,048.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 766.85 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:18:50 (47404): wrapper (7.9.26016): starting
13:18:50 (47404): 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
13:18:51 (47404): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:18:51 (47404): 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\34\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\34\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) : {3835366} normal block at 0x0000017E837FE420, 8 bytes long.
Data: < x ~ > 00 00 78 83 7E 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833974} normal block at 0x0000017E838DE9F0, 1080 bytes long.
Data: < > A0 81 00 00 CD CD CD CD 9C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000017E83802E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:22:12 (42432): wrapper (7.9.26016): starting
13:22:12 (42432): 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\34\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1704} normal block at 0x000002A8D06A6830, 8 bytes long.
Data: < b > 00 00 62 D0 A8 02 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x000002A8D06A7A30, 1080 bytes long.
Data: < L > 8C D4 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
13:30:33 (54276): wrapper (7.9.26016): starting
13:30:33 (54276): 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\34\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1704} normal block at 0x000001CCBD9F7880, 8 bytes long.
Data: < > 00 00 E9 BD CC 01 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x000001CCBD9F83C0, 1080 bytes long.
Data: < ~ D > A0 7E 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
13:52:25 (21704): wrapper (7.9.26016): starting
13:52:25 (21704): 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\34\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\34\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\34\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\34\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\34\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\34\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\34\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\34\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\34\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\34\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\34\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\34\Lib\site-packages\atom_openmm\openmm_async_re.py", line 80, in update_state_of_replica
replica = self.openmm_replicas[repl]
~~~~~~~~~~~~~~~~~~~~^^^^^^
IndexError: list index out of range
13:52:41 (21704): C:/Windows/system32/cmd.exe exited; CPU time 10.062500
13:52:41 (21704): app exit status: 0x16
13:52:41 (21704): 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: 492169 bytes.
Dumping objects ->
{1792} normal block at 0x0000021A88127310, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1781} normal block at 0x0000021A881270E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1770} normal block at 0x0000021A88127070, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1759} normal block at 0x0000021A88127000, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1748} normal block at 0x0000021A881275B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1717} normal block at 0x0000021A881175B0, 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) : {1704} normal block at 0x0000021A88127B60, 8 bytes long.
Data: < > 00 00 0D 88 1A 02 00 00
{313} normal block at 0x0000021A881277A0, 8 bytes long.
Data: <0 > 30 8D 12 88 1A 02 00 00
{304} normal block at 0x0000021A8810DB20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x0000021A881286A0, 16 bytes long.
Data: <8 > 38 8C 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000021A88127C50, 16 bytes long.
Data: < > 10 8C 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000021A88122260, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x0000021A88127CA0, 16 bytes long.
Data: < > E8 8B 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021A88128650, 16 bytes long.
Data: < > C0 8B 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000021A88127C00, 16 bytes long.
Data: < > 98 8B 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021A881286F0, 16 bytes long.
Data: <p > 70 8B 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021A88127150, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x0000021A881285B0, 16 bytes long.
Data: <8# > 38 23 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021A88121E40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x0000021A88127E80, 16 bytes long.
Data: < # > 10 23 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021A88127B10, 16 bytes long.
Data: < " > E8 22 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021A88128290, 16 bytes long.
Data: < " > C0 22 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021A88127FC0, 16 bytes long.
Data: < " > 98 22 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021A88128240, 16 bytes long.
Data: <p" > 70 22 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021A88128510, 16 bytes long.
Data: <H" > 48 22 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021A88121EA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x0000021A881278E0, 16 bytes long.
Data: < " > 20 22 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021A88112220, 320 bytes long.
Data: < x > E0 78 12 88 1A 02 00 00 A0 1E 12 88 1A 02 00 00
{283} normal block at 0x0000021A88128100, 16 bytes long.
Data: <P > 50 8B 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021A881280B0, 16 bytes long.
Data: <( > 28 8B 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021A88121DE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x0000021A88127840, 16 bytes long.
Data: < > 00 8B 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021A88122500, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x0000021A881281A0, 16 bytes long.
Data: <H > 48 8A 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021A88127D90, 16 bytes long.
Data: < > 20 8A 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021A88127D40, 16 bytes long.
Data: < > F8 89 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021A88127AC0, 16 bytes long.
Data: < > D0 89 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021A881284C0, 16 bytes long.
Data: < > A8 89 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021A88128560, 16 bytes long.
Data: < > 80 89 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021A88127F20, 16 bytes long.
Data: < o > 90 6F 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021A88126F90, 40 bytes long.
Data: < u > 20 7F 12 88 1A 02 00 00 B0 75 11 88 1A 02 00 00
{269} normal block at 0x0000021A881281F0, 16 bytes long.
Data: <` > 60 89 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021A88127BB0, 16 bytes long.
Data: <8 > 38 89 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021A88121C60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x0000021A88127A20, 16 bytes long.
Data: < > 10 89 12 88 1A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021A88128910, 992 bytes long.
Data: < z ` > 20 7A 12 88 1A 02 00 00 60 1C 12 88 1A 02 00 00
{101} normal block at 0x0000021A88121F60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x0000021A8811F5B0, 16 bytes long.
Data: <@u > 40 75 11 88 1A 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x0000021A88117540, 40 bytes long.
Data: < ` > B0 F5 11 88 1A 02 00 00 60 1F 12 88 1A 02 00 00
{78} normal block at 0x0000021A88120140, 16 bytes long.
Data: < 0 > 80 EA 15 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000021A8811F510, 16 bytes long.
Data: <@ 0 > 40 E9 15 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000021A8811F7E0, 16 bytes long.
Data: < W 0 > F8 57 12 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000021A881203C0, 16 bytes long.
Data: < W 0 > D8 57 12 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000021A8811F4C0, 16 bytes long.
Data: <P 0 > 50 04 12 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000021A8811F560, 16 bytes long.
Data: <0 0 > 30 04 12 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000021A8811FC90, 16 bytes long.
Data: < 0 > E0 02 12 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021A881200A0, 16 bytes long.
Data: < 0 > 10 04 12 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021A88120050, 16 bytes long.
Data: <p 0 > 70 04 12 30 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021A8811FFB0, 16 bytes long.
Data: < 0 > 18 C0 10 30 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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