Task 38611310
| Name | MCL1_A35_A41_r0_1-QUICO_ATM_OpenFF_MCL1-2-6-RND4208_0 |
| Workunit | 31564072 |
| Created | 15 Apr 2026, 18:20:39 UTC |
| Sent | 15 Apr 2026, 18:20:43 UTC |
| Report deadline | 20 Apr 2026, 18:20:43 UTC |
| Received | 15 Apr 2026, 18:42:44 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 615648 |
| Run time | 1 min 24 sec |
| CPU time | 11 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,153.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 220.08 MB |
| Peak swap size | 12.06 GB |
| Peak disk usage | 3.21 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:37:44 (33332): wrapper (7.9.26016): starting
20:37:44 (33332): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A35_A41_0.pdb
QB_A35_A41_0.xml
QB_A35_A41.inpcrd
QB_A35_A41_input.yaml
QB_A35_A41.pdb
QB_A35_A41.prmtop
QB_A35_A41_sys.xml
run.bat
run.sh
20:37:45 (33332): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:37:45 (33332): 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.
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 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 251, in _openmm_worker_makecontext
self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error initializing CUDA: CUDA_ERROR_INVALID_VALUE (1) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
20:38:14 (33332): C:/Windows/system32/cmd.exe exited; CPU time 11.218750
20:38:14 (33332): app exit status: 0x16
20:38:14 (33332): 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: 704873 bytes.
Dumping objects ->
{3835277} normal block at 0x000001CFCB5C1410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x000001CFCB5C16B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x000001CFCB5C0920, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835244} normal block at 0x000001CFCB5C14F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000001CFCB5C0990, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835202} normal block at 0x000001CFCB6C44E0, 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) : {3835189} normal block at 0x000001CFC995E820, 8 bytes long.
Data: < ÉÏ > 00 00 90 C9 CF 01 00 00
{3833961} normal block at 0x000001CFC995EA00, 8 bytes long.
Data: <0útËÏ > 30 FA 74 CB CF 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001CFC994DFC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CFC9949490, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001CFC995E870, 16 bytes long.
Data: <hú•ÉÏ > 68 FA 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CFC995F630, 16 bytes long.
Data: <@ú•ÉÏ > 40 FA 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CFC995B500, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001CFC995EFA0, 16 bytes long.
Data: < ú•ÉÏ > 18 FA 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CFC995EB40, 16 bytes long.
Data: <ðù•ÉÏ > F0 F9 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CFC995F5E0, 16 bytes long.
Data: <Èù•ÉÏ > C8 F9 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CFC995EF00, 16 bytes long.
Data: < ù•ÉÏ > A0 F9 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CFC99599E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001CFC995F590, 16 bytes long.
Data: <¨µ”ÉÏ > A8 B5 94 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CFC995B5C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001CFC995F4F0, 16 bytes long.
Data: < µ”ÉÏ > 80 B5 94 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CFC995F4A0, 16 bytes long.
Data: <Xµ”ÉÏ > 58 B5 94 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CFC995ED70, 16 bytes long.
Data: <0µ”ÉÏ > 30 B5 94 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CFC995F450, 16 bytes long.
Data: < µ”ÉÏ > 08 B5 94 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CFC995F130, 16 bytes long.
Data: <à´”ÉÏ > E0 B4 94 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CFC995E7D0, 16 bytes long.
Data: <¸´”ÉÏ > B8 B4 94 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CFC995AD80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001CFC995EEB0, 16 bytes long.
Data: < ´”ÉÏ > 90 B4 94 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CFC994B490, 320 bytes long.
Data: <°î•ÉÏ ­•ÉÏ > B0 EE 95 C9 CF 01 00 00 80 AD 95 C9 CF 01 00 00
{276} normal block at 0x000001CFC995F400, 16 bytes long.
Data: < ù•ÉÏ > 80 F9 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CFC995ECD0, 16 bytes long.
Data: <Xù•ÉÏ > 58 F9 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CFC995B800, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001CFC995EC30, 16 bytes long.
Data: <0ù•ÉÏ > 30 F9 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CFC995B7A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001CFC995EC80, 16 bytes long.
Data: <xø•ÉÏ > 78 F8 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CFC995E780, 16 bytes long.
Data: <Pø•ÉÏ > 50 F8 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CFC995F6D0, 16 bytes long.
Data: <(ø•ÉÏ > 28 F8 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CFC995F220, 16 bytes long.
Data: < ø•ÉÏ > 00 F8 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CFC995F3B0, 16 bytes long.
Data: <Ø÷•ÉÏ > D8 F7 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CFC995F2C0, 16 bytes long.
Data: <°÷•ÉÏ > B0 F7 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CFC995F1D0, 16 bytes long.
Data: <0”•ÉÏ > 30 94 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CFC9959430, 40 bytes long.
Data: <Ðñ•ÉÏ àDlËÏ > D0 F1 95 C9 CF 01 00 00 E0 44 6C CB CF 01 00 00
{262} normal block at 0x000001CFC995EBE0, 16 bytes long.
Data: < ÷•ÉÏ > 90 F7 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CFC995F680, 16 bytes long.
Data: <h÷•ÉÏ > 68 F7 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CFC995ACC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001CFC995F180, 16 bytes long.
Data: <@÷•ÉÏ > 40 F7 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CFC995F740, 992 bytes long.
Data: < ñ•ÉÏ À¬•ÉÏ > 80 F1 95 C9 CF 01 00 00 C0 AC 95 C9 CF 01 00 00
{94} normal block at 0x000001CFC995BB00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001CFC994C620, 16 bytes long.
Data: <À“•ÉÏ > C0 93 95 C9 CF 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001CFC99593C0, 40 bytes long.
Data: < Æ”ÉÏ »•ÉÏ > 20 C6 94 C9 CF 01 00 00 00 BB 95 C9 CF 01 00 00
{71} normal block at 0x000001CFC994C710, 16 bytes long.
Data: < êÎ7÷ > 80 EA CE 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CFC994C170, 16 bytes long.
Data: <@éÎ7÷ > 40 E9 CE 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CFC994BAE0, 16 bytes long.
Data: <øWË7÷ > F8 57 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CFC994C440, 16 bytes long.
Data: <ØWË7÷ > D8 57 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CFC994C3F0, 16 bytes long.
Data: <P Ë7÷ > 50 04 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CFC994BF40, 16 bytes long.
Data: <0 Ë7÷ > 30 04 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CFC994C120, 16 bytes long.
Data: <à Ë7÷ > E0 02 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CFC994C5D0, 16 bytes long.
Data: < Ë7÷ > 10 04 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CFC994C0D0, 16 bytes long.
Data: <p Ë7÷ > 70 04 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CFC994C080, 16 bytes long.
Data: < ÀÉ7÷ > 18 C0 C9 37 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra