Task 38688822
| Name | test_755-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9522_0 |
| Workunit | 31630132 |
| Created | 28 Oct 2026, 16:24:16 UTC |
| Sent | 28 Oct 2026, 16:24:22 UTC |
| Report deadline | 2 Nov 2026, 16:24:22 UTC |
| Received | 28 Oct 2026, 16:29:30 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652307 |
| Run time | 3 min 13 sec |
| CPU time | 47 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,409.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 407.61 MB |
| Peak swap size | 9.24 GB |
| Peak disk usage | 2.69 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
(null) nelze spustit.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:26:39 (5432): wrapper (7.9.26016): starting
17:26:39 (5432): 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
17:26:40 (5432): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:26:40 (5432): 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\2\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\2\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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\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\2\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\2\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\2\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\2\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
17:28:03 (5432): C:/Windows/system32/cmd.exe exited; CPU time 47.328125
17:28:03 (5432): app exit status: 0x16
17:28:03 (5432): 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: 1041395 bytes.
Dumping objects ->
{3835372} normal block at 0x000002080CD35CF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835361} normal block at 0x000002080CD35BA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835350} normal block at 0x000002080CD35C80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835339} normal block at 0x000002080CD35B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835328} normal block at 0x000002080CD35DD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835297} normal block at 0x000002080EA65FB0, 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) : {3835284} normal block at 0x000002080CD2EA00, 8 bytes long.
Data: < > 00 00 1C 0D 08 02 00 00
{3833953} normal block at 0x000002080CD2E550, 8 bytes long.
Data: < ‡« > A0 87 AB 0E 08 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002080CD30070, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002080CD25410, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000002080CD34D10, 16 bytes long.
Data: <øUÓ > F8 55 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002080CD34D60, 16 bytes long.
Data: <ÐUÓ > D0 55 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002080CD2F0A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000002080CD35170, 16 bytes long.
Data: <¨UÓ > A8 55 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002080CD34810, 16 bytes long.
Data: < UÓ > 80 55 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002080CD34950, 16 bytes long.
Data: <XUÓ > 58 55 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002080CD34C70, 16 bytes long.
Data: <0UÓ > 30 55 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002080CD35970, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000002080CD34E50, 16 bytes long.
Data: <8ÚÒ > 38 DA D2 0C 08 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002080CD2F820, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000002080CD343B0, 16 bytes long.
Data: < ÚÒ > 10 DA D2 0C 08 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002080CD347C0, 16 bytes long.
Data: <èÙÒ > E8 D9 D2 0C 08 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002080CD349A0, 16 bytes long.
Data: <ÀÙÒ > C0 D9 D2 0C 08 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002080CD344A0, 16 bytes long.
Data: < ÙÒ > 98 D9 D2 0C 08 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002080CD34770, 16 bytes long.
Data: <pÙÒ > 70 D9 D2 0C 08 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002080CD34720, 16 bytes long.
Data: <HÙÒ > 48 D9 D2 0C 08 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002080CD2F220, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000002080CD34BD0, 16 bytes long.
Data: < ÙÒ > 20 D9 D2 0C 08 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002080CD2D920, 320 bytes long.
Data: <ÐKÓ òÒ > D0 4B D3 0C 08 02 00 00 20 F2 D2 0C 08 02 00 00
{272} normal block at 0x000002080CD35030, 16 bytes long.
Data: < UÓ > 10 55 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002080CD350D0, 16 bytes long.
Data: <èTÓ > E8 54 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002080CD2F8E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000002080CD34590, 16 bytes long.
Data: <ÀTÓ > C0 54 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002080CD2EE60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000002080CD34680, 16 bytes long.
Data: < TÓ > 08 54 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002080CD34B80, 16 bytes long.
Data: <àSÓ > E0 53 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002080CD35210, 16 bytes long.
Data: <¸SÓ > B8 53 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002080CD34C20, 16 bytes long.
Data: < SÓ > 90 53 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002080CD34540, 16 bytes long.
Data: <hSÓ > 68 53 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002080CD34FE0, 16 bytes long.
Data: <@SÓ > 40 53 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002080CD34630, 16 bytes long.
Data: <0ÒÑ > 30 D2 D1 0C 08 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002080CD1D230, 40 bytes long.
Data: <0FÓ °_¦ > 30 46 D3 0C 08 02 00 00 B0 5F A6 0E 08 02 00 00
{258} normal block at 0x000002080CD34E00, 16 bytes long.
Data: < SÓ > 20 53 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002080CD34B30, 16 bytes long.
Data: <øRÓ > F8 52 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002080CD2F940, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000002080CD344F0, 16 bytes long.
Data: <ÐRÓ > D0 52 D3 0C 08 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002080CD352D0, 992 bytes long.
Data: <ðDÓ @ùÒ > F0 44 D3 0C 08 02 00 00 40 F9 D2 0C 08 02 00 00
{90} normal block at 0x000002080CD2F2E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000002080CD2E000, 16 bytes long.
Data: <@ÆÑ > 40 C6 D1 0C 08 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002080CD1C640, 40 bytes long.
Data: < àÒ àòÒ > 00 E0 D2 0C 08 02 00 00 E0 F2 D2 0C 08 02 00 00
{67} normal block at 0x000002080CD2E0A0, 16 bytes long.
Data: < ê?\ö > 80 EA 3F 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002080CD2DFB0, 16 bytes long.
Data: <@é?\ö > 40 E9 3F 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002080CD2E8C0, 16 bytes long.
Data: <øW<\ö > F8 57 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002080CD2E730, 16 bytes long.
Data: <ØW<\ö > D8 57 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002080CD2DBF0, 16 bytes long.
Data: <P <\ö > 50 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002080CD2E230, 16 bytes long.
Data: <0 <\ö > 30 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002080CD2DF60, 16 bytes long.
Data: <à <\ö > E0 02 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002080CD2E9B0, 16 bytes long.
Data: < <\ö > 10 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002080CD2E1E0, 16 bytes long.
Data: <p <\ö > 70 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002080CD2DE70, 16 bytes long.
Data: < À:\ö > 18 C0 3A 5C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra