Task 38666141
| Name | test_982-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9004_0 |
| Workunit | 31609161 |
| Created | 25 Oct 2026, 2:07:15 UTC |
| Sent | 25 Oct 2026, 4:59:41 UTC |
| Report deadline | 30 Oct 2026, 4:18:05 UTC |
| Received | 25 Oct 2026, 18:01:58 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 609629 |
| Run time | 3 hours 10 min 51 sec |
| CPU time | 3 hours 7 min 46 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,533.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.16 MB |
| Peak swap size | 18.79 GB |
| Peak disk usage | 2.97 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>
16:44:49 (1760): wrapper (7.9.26016): starting
16:44:49 (1760): 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
16:44:53 (1760): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:44:53 (1760): 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\39\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\39\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.
19:58:26 (14836): wrapper (7.9.26016): starting
19:58:26 (14836): 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\39\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\39\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\39\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\39\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\39\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\39\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
return XmlSerializer._deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\39\Lib\site-packages\openmm\openmm.py", line 19590, in _deserializeState
return _openmm.XmlSerializer__deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Unknown property 'z' in node '
'
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\39\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\39\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\39\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\39\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\39\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\39\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\39\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'
19:59:58 (14836): C:/Windows/system32/cmd.exe exited; CPU time 72.406250
19:59:58 (14836): app exit status: 0x16
19:59:58 (14836): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 1446861 bytes.
Dumping objects ->
{1598} normal block at 0x000001C4F3651580, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1587} normal block at 0x000001C4F3651430, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1576} normal block at 0x000001C4F36516D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1565} normal block at 0x000001C4F3651660, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1554} normal block at 0x000001C4F3651510, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1523} normal block at 0x000001C4F363F840, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1512} normal block at 0x000001C4F363E880, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1509} normal block at 0x000001C4F3656290, 8 bytes long.
Data: < ] > 00 00 5D F3 C4 01 00 00
{902} normal block at 0x000001C4F363E790, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{299} normal block at 0x000001C4F3655E80, 8 bytes long.
Data: <0We > 30 57 65 F3 C4 01 00 00
{290} normal block at 0x000001C4F3640270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001C4F3656A10, 16 bytes long.
Data: <xte > 78 74 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C4F3655F20, 16 bytes long.
Data: <Pte > 50 74 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C4F3652760, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001C4F3655E30, 16 bytes long.
Data: <(te > 28 74 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C4F36569C0, 16 bytes long.
Data: < te > 00 74 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C4F36561A0, 16 bytes long.
Data: < se > D8 73 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C4F3656CE0, 16 bytes long.
Data: < se > B0 73 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C4F36519E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001C4F3656C40, 16 bytes long.
Data: < c > D8 F7 63 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C4F36526A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001C4F3656970, 16 bytes long.
Data: < c > B0 F7 63 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C4F3656920, 16 bytes long.
Data: < c > 88 F7 63 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C4F36568D0, 16 bytes long.
Data: <` c > 60 F7 63 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C4F36567E0, 16 bytes long.
Data: <8 c > 38 F7 63 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C4F36564C0, 16 bytes long.
Data: < c > 10 F7 63 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C4F3655DE0, 16 bytes long.
Data: < c > E8 F6 63 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C4F3652100, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001C4F3656740, 16 bytes long.
Data: < c > C0 F6 63 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C4F363F6C0, 320 bytes long.
Data: <@ge !e > 40 67 65 F3 C4 01 00 00 00 21 65 F3 C4 01 00 00
{269} normal block at 0x000001C4F3656BF0, 16 bytes long.
Data: < se > 90 73 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C4F3656150, 16 bytes long.
Data: <hse > 68 73 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C4F3651C20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001C4F3656510, 16 bytes long.
Data: <@se > 40 73 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C4F3652460, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001C4F36563D0, 16 bytes long.
Data: < re > 88 72 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C4F3656420, 16 bytes long.
Data: <`re > 60 72 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C4F3655ED0, 16 bytes long.
Data: <8re > 38 72 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C4F3656880, 16 bytes long.
Data: < re > 10 72 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C4F3656B00, 16 bytes long.
Data: < qe > E8 71 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C4F3656790, 16 bytes long.
Data: < qe > C0 71 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C4F3656AB0, 16 bytes long.
Data: < e > 90 18 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C4F3651890, 40 bytes long.
Data: < je @ c > B0 6A 65 F3 C4 01 00 00 40 F8 63 F3 C4 01 00 00
{255} normal block at 0x000001C4F36566F0, 16 bytes long.
Data: < qe > A0 71 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001C4F3656BA0, 16 bytes long.
Data: <xqe > 78 71 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001C4F3651E60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001C4F36566A0, 16 bytes long.
Data: <Pqe > 50 71 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001C4F3657150, 992 bytes long.
Data: < fe ` e > A0 66 65 F3 C4 01 00 00 60 1E 65 F3 C4 01 00 00
{87} normal block at 0x000001C4F3651F20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001C4F364BCA0, 16 bytes long.
Data: < e > F0 15 65 F3 C4 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001C4F36515F0, 40 bytes long.
Data: < d e > A0 BC 64 F3 C4 01 00 00 20 1F 65 F3 C4 01 00 00
{64} normal block at 0x000001C4F364BD90, 16 bytes long.
Data: < & > 80 EA 26 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C4F364B480, 16 bytes long.
Data: <@ & > 40 E9 26 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C4F364BC00, 16 bytes long.
Data: < W# > F8 57 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C4F364BFC0, 16 bytes long.
Data: < W# > D8 57 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C4F364B840, 16 bytes long.
Data: <P # > 50 04 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C4F364B160, 16 bytes long.
Data: <0 # > 30 04 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C4F364B2A0, 16 bytes long.
Data: < # > E0 02 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C4F364B6B0, 16 bytes long.
Data: < # > 10 04 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C4F364C0B0, 16 bytes long.
Data: <p # > 70 04 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001C4F364B430, 16 bytes long.
Data: < ! > 18 C0 21 ED F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra