Task 38596001
| Name | p38_A01_A05_r0_5-QUICO_ATM_GAFF2_LOMAP_P38_2-3-6-RND4589_2 |
| Workunit | 31552101 |
| Created | 28 Feb 2026, 15:11:51 UTC |
| Sent | 28 Feb 2026, 15:11:57 UTC |
| Report deadline | 5 Mar 2026, 15:11:57 UTC |
| Received | 28 Feb 2026, 16:04:39 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 622169 |
| Run time | 17 min 37 sec |
| CPU time | 16 min 12 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,485.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.29 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.05 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:36:18 (61232): wrapper (7.9.26016): starting
16:36:18 (61232): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A05_0.pdb
QB_A01_A05_0.xml
QB_A01_A05_equil.pdb
QB_A01_A05.inpcrd
QB_A01_A05_input.yaml
QB_A01_A05_mdlambda.pdb
QB_A01_A05_min.pdb
QB_A01_A05_npt.pdb
QB_A01_A05.pdb
QB_A01_A05.prmtop
QB_A01_A05_sys.xml
QB_A01_A05_therm.pdb
run.bat
run.sh
16:36:19 (61232): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:36:19 (61232): 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\0\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\0\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) : {3835483} normal block at 0x00000195F4DFB470, 8 bytes long.
Data: < A > 00 00 41 F5 95 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833972} normal block at 0x00000195F6C98110, 1080 bytes long.
Data: < 0 > F0 DA 00 00 CD CD CD CD 30 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000195F4DF70E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:44:14 (68100): wrapper (7.9.26016): starting
16:44:14 (68100): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1822} normal block at 0x0000026284516A70, 8 bytes long.
Data: < J b > 00 00 4A 84 62 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000026284517D10, 1080 bytes long.
Data: < > 04 04 01 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
17:02:55 (43436): wrapper (7.9.26016): starting
17:02:55 (43436): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\0\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\0\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'
17:03:14 (43436): C:/Windows/system32/cmd.exe exited; CPU time 9.656250
17:03:14 (43436): app exit status: 0x16
17:03:14 (43436): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 422796 bytes.
Dumping objects ->
{1911} normal block at 0x00000171A7194D50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1900} normal block at 0x00000171A7195060, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1889} normal block at 0x00000171A7195290, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1878} normal block at 0x00000171A7194FF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1867} normal block at 0x00000171A7194F10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1836} normal block at 0x00000171A717FC70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1825} normal block at 0x00000171A717BED0, 140 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) : {1822} normal block at 0x00000171A71976A0, 8 bytes long.
Data: < t q > 00 00 74 A7 71 01 00 00
{1044} normal block at 0x00000171A71926C0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{312} normal block at 0x00000171A7196A20, 8 bytes long.
Data: < } q > 10 7D 19 A7 71 01 00 00
{303} normal block at 0x00000171A7182260, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x00000171A7197010, 16 bytes long.
Data: < | q > 18 7C 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000171A7197790, 16 bytes long.
Data: < { q > F0 7B 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000171A7190140, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x00000171A7196F70, 16 bytes long.
Data: < { q > C8 7B 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000171A7197650, 16 bytes long.
Data: < { q > A0 7B 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000171A7196930, 16 bytes long.
Data: <x{ q > 78 7B 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000171A7196DE0, 16 bytes long.
Data: <P{ q > 50 7B 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000171A7195300, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x00000171A71975B0, 16 bytes long.
Data: < q > E8 07 18 A7 71 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000171A71904A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x00000171A7197510, 16 bytes long.
Data: < q > C0 07 18 A7 71 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000171A7197420, 16 bytes long.
Data: < q > 98 07 18 A7 71 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000171A7196F20, 16 bytes long.
Data: <p q > 70 07 18 A7 71 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000171A7197740, 16 bytes long.
Data: <H q > 48 07 18 A7 71 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000171A7197290, 16 bytes long.
Data: < q > 20 07 18 A7 71 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000171A7197470, 16 bytes long.
Data: < q > F8 06 18 A7 71 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000171A7190260, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x00000171A7196ED0, 16 bytes long.
Data: < q > D0 06 18 A7 71 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000171A71806D0, 320 bytes long.
Data: < n q ` q > D0 6E 19 A7 71 01 00 00 60 02 19 A7 71 01 00 00
{282} normal block at 0x00000171A7196D90, 16 bytes long.
Data: <0{ q > 30 7B 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000171A71969D0, 16 bytes long.
Data: < { q > 08 7B 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000171A7190B00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x00000171A7196CA0, 16 bytes long.
Data: < z q > E0 7A 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000171A7190800, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x00000171A7197830, 16 bytes long.
Data: <(z q > 28 7A 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000171A71971F0, 16 bytes long.
Data: < z q > 00 7A 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000171A7196CF0, 16 bytes long.
Data: < y q > D8 79 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000171A7197240, 16 bytes long.
Data: < y q > B0 79 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000171A7196A70, 16 bytes long.
Data: < y q > 88 79 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000171A7197880, 16 bytes long.
Data: <`y q > 60 79 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000171A7196E80, 16 bytes long.
Data: < L q > E0 4C 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000171A7194CE0, 40 bytes long.
Data: < n q p q > 80 6E 19 A7 71 01 00 00 70 FC 17 A7 71 01 00 00
{268} normal block at 0x00000171A71973D0, 16 bytes long.
Data: <@y q > 40 79 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000171A71976F0, 16 bytes long.
Data: < y q > 18 79 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000171A7190200, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x00000171A7197150, 16 bytes long.
Data: < x q > F0 78 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000171A71978F0, 992 bytes long.
Data: <Pq q q > 50 71 19 A7 71 01 00 00 00 02 19 A7 71 01 00 00
{100} normal block at 0x00000171A71908C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x00000171A718BAC0, 16 bytes long.
Data: < Q q > B0 51 19 A7 71 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x00000171A71951B0, 40 bytes long.
Data: < q q > C0 BA 18 A7 71 01 00 00 C0 08 19 A7 71 01 00 00
{77} normal block at 0x00000171A718B980, 16 bytes long.
Data: < C > 80 EA 18 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000171A718B930, 16 bytes long.
Data: <@ C > 40 E9 18 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000171A718B750, 16 bytes long.
Data: < W C > F8 57 15 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000171A718B200, 16 bytes long.
Data: < W C > D8 57 15 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000171A718B700, 16 bytes long.
Data: <P C > 50 04 15 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000171A718BC00, 16 bytes long.
Data: <0 C > 30 04 15 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000171A718B6B0, 16 bytes long.
Data: < C > E0 02 15 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000171A718BFC0, 16 bytes long.
Data: < C > 10 04 15 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000171A718B480, 16 bytes long.
Data: <p C > 70 04 15 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000171A718B8E0, 16 bytes long.
Data: < C > 18 C0 13 43 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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