Task 38664869
| Name | test_441-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND3934_0 |
| Workunit | 31607994 |
| Created | 25 Oct 2026, 0:17:36 UTC |
| Sent | 25 Oct 2026, 1:11:14 UTC |
| Report deadline | 30 Oct 2026, 1:11:14 UTC |
| Received | 25 Oct 2026, 1:35:19 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652570 |
| Run time | 4 min 16 sec |
| CPU time | 1 min 3 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,454.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 383.67 MB |
| Peak swap size | 4.72 GB |
| Peak disk usage | 4.09 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>
01:31:28 (2284): wrapper (7.9.26016): starting
01:31:28 (2284): 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
01:31:30 (2284): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:31:30 (2284): 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 'E:\ProgramData\BOINC\slots\13\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 'E:\ProgramData\BOINC\slots\13\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 "E:\ProgramData\BOINC\slots\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\13\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 "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\ProgramData\BOINC\slots\13\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 "E:\ProgramData\BOINC\slots\13\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\13\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
01:33:16 (2284): C:/Windows/system32/cmd.exe exited; CPU time 63.078125
01:33:16 (2284): app exit status: 0x16
01:33:16 (2284): 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: 1582765 bytes.
Dumping objects ->
{3835181} normal block at 0x0000024B4B6A7AF0, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835170} normal block at 0x0000024B4B6A82D0, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835159} normal block at 0x0000024B4B6A7D20, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835148} normal block at 0x0000024B4B6A80A0, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835137} normal block at 0x0000024B4B6A7690, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835106} normal block at 0x0000024B4D17E190, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835093} normal block at 0x0000024B4B676E60, 8 bytes long.
Data: < eKK > 00 00 65 4B 4B 02 00 00
{3833951} normal block at 0x0000024B4B676780, 8 bytes long.
Data: <pä MK > 70 E4 0D 4D 4B 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000024B4B683360, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024B4B67C660, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000024B4B684940, 16 bytes long.
Data: <XThKK > 58 54 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024B4B684E40, 16 bytes long.
Data: <0ThKK > 30 54 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024B4B67D220, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000024B4B6847B0, 16 bytes long.
Data: < ThKK > 08 54 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024B4B684760, 16 bytes long.
Data: <àShKK > E0 53 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024B4B6843A0, 16 bytes long.
Data: <¸ShKK > B8 53 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024B4B6846C0, 16 bytes long.
Data: < ShKK > 90 53 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024B4B67B930, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000024B4B684DF0, 16 bytes long.
Data: <øÅgKK > F8 C5 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024B4B67D040, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000024B4B684670, 16 bytes long.
Data: <ÐÅgKK > D0 C5 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024B4B6845D0, 16 bytes long.
Data: <¨ÅgKK > A8 C5 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024B4B684580, 16 bytes long.
Data: < ÅgKK > 80 C5 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024B4B684530, 16 bytes long.
Data: <XÅgKK > 58 C5 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024B4B684B70, 16 bytes long.
Data: <0ÅgKK > 30 C5 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024B4B685020, 16 bytes long.
Data: < ÅgKK > 08 C5 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024B4B67D2E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000024B4B684440, 16 bytes long.
Data: <àÄgKK > E0 C4 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024B4B67C4E0, 320 bytes long.
Data: <@DhKK àÒgKK > 40 44 68 4B 4B 02 00 00 E0 D2 67 4B 4B 02 00 00
{271} normal block at 0x0000024B4B684F30, 16 bytes long.
Data: <pShKK > 70 53 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024B4B684A80, 16 bytes long.
Data: <HShKK > 48 53 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024B4B67D520, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000024B4B6842B0, 16 bytes long.
Data: < ShKK > 20 53 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024B4B67D0A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000024B4B6848A0, 16 bytes long.
Data: <hRhKK > 68 52 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024B4B684D50, 16 bytes long.
Data: <@RhKK > 40 52 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024B4B6841C0, 16 bytes long.
Data: < RhKK > 18 52 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024B4B684FD0, 16 bytes long.
Data: <ðQhKK > F0 51 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024B4B684AD0, 16 bytes long.
Data: <ÈQhKK > C8 51 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024B4B684170, 16 bytes long.
Data: < QhKK > A0 51 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024B4B684C10, 16 bytes long.
Data: <дgKK > D0 B4 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024B4B67B4D0, 40 bytes long.
Data: < LhKK á MK > 10 4C 68 4B 4B 02 00 00 90 E1 17 4D 4B 02 00 00
{257} normal block at 0x0000024B4B684D00, 16 bytes long.
Data: < QhKK > 80 51 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024B4B684F80, 16 bytes long.
Data: <XQhKK > 58 51 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024B4B67CEC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000024B4B684210, 16 bytes long.
Data: <0QhKK > 30 51 68 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000024B4B685130, 992 bytes long.
Data: < BhKK ÀÎgKK > 10 42 68 4B 4B 02 00 00 C0 CE 67 4B 4B 02 00 00
{89} normal block at 0x0000024B4B67CE60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000024B4B676FA0, 16 bytes long.
Data: < ²gKK > A0 B2 67 4B 4B 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000024B4B67B2A0, 40 bytes long.
Data: < ogKK `ÎgKK > A0 6F 67 4B 4B 02 00 00 60 CE 67 4B 4B 02 00 00
{66} normal block at 0x0000024B4B677450, 16 bytes long.
Data: < êixö > 80 EA 69 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024B4B676640, 16 bytes long.
Data: <@éixö > 40 E9 69 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024B4B6774A0, 16 bytes long.
Data: <øWfxö > F8 57 66 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024B4B6765F0, 16 bytes long.
Data: <ØWfxö > D8 57 66 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024B4B676960, 16 bytes long.
Data: <P fxö > 50 04 66 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024B4B676E10, 16 bytes long.
Data: <0 fxö > 30 04 66 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024B4B676AA0, 16 bytes long.
Data: <à fxö > E0 02 66 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024B4B677040, 16 bytes long.
Data: < fxö > 10 04 66 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000024B4B676D20, 16 bytes long.
Data: <p fxö > 70 04 66 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000024B4B677400, 16 bytes long.
Data: < Àdxö > 18 C0 64 78 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra