Task 38662097
| Name | test_1819-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND3399_1 |
| Workunit | 31603504 |
| Created | 24 Oct 2026, 17:39:46 UTC |
| Sent | 24 Oct 2026, 17:40:04 UTC |
| Report deadline | 29 Oct 2026, 17:40:04 UTC |
| Received | 24 Oct 2026, 17:44:40 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652570 |
| Run time | 2 min 18 sec |
| CPU time | 9 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 | 438.30 MB |
| Peak swap size | 4.77 GB |
| Peak disk usage | 1.42 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>
18:41:59 (17860): wrapper (7.9.26016): starting
18:41:59 (17860): 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
18:42:01 (17860): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:42:01 (17860): 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\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 'E:\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 "E:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\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 "E:\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 "E:\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
18:42:41 (17860): C:/Windows/system32/cmd.exe exited; CPU time 9.796875
18:42:41 (17860): app exit status: 0x16
18:42:41 (17860): 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: 668339 bytes.
Dumping objects ->
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{3835170} normal block at 0x000001D299435B70, 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 0x000001D2994362E0, 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 0x000001D299435BE0, 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 0x000001D299435D30, 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 0x000001D29AFEB8E0, 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 0x000001D299407130, 8 bytes long.
Data: < ×šÒ > 00 00 D7 9A D2 01 00 00
{3833951} normal block at 0x000001D299406B90, 8 bytes long.
Data: <À‚ ›Ò > C0 82 08 9B D2 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001D2994112F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D29940C660, 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 0x000001D299412EC0, 16 bytes long.
Data: <è7A Ò > E8 37 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D299412DD0, 16 bytes long.
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{289} normal block at 0x000001D29940D0A0, 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 0x000001D299412D30, 16 bytes long.
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{287} normal block at 0x000001D299412970, 16 bytes long.
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{286} normal block at 0x000001D299412790, 16 bytes long.
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{285} normal block at 0x000001D299412E20, 16 bytes long.
Data: < 7A Ò > 20 37 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D29940B690, 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 0x000001D299412AB0, 16 bytes long.
Data: <øÅ@ Ò > F8 C5 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D29940D3A0, 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 0x000001D2994123D0, 16 bytes long.
Data: <ÐÅ@ Ò > D0 C5 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D299412E70, 16 bytes long.
Data: <¨Å@ Ò > A8 C5 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D299412420, 16 bytes long.
Data: < Å@ Ò > 80 C5 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D299413000, 16 bytes long.
Data: <XÅ@ Ò > 58 C5 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D299412380, 16 bytes long.
Data: <0Å@ Ò > 30 C5 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D299412880, 16 bytes long.
Data: < Å@ Ò > 08 C5 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D29940D220, 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 0x000001D299412560, 16 bytes long.
Data: <àÄ@ Ò > E0 C4 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D29940C4E0, 320 bytes long.
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{271} normal block at 0x000001D2994126F0, 16 bytes long.
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{270} normal block at 0x000001D299412B00, 16 bytes long.
Data: <Ø6A Ò > D8 36 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D29940D640, 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 0x000001D299412A60, 16 bytes long.
Data: <°6A Ò > B0 36 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D29940D1C0, 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 0x000001D299412740, 16 bytes long.
Data: <ø5A Ò > F8 35 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D2994122E0, 16 bytes long.
Data: <Ð5A Ò > D0 35 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D2994124C0, 16 bytes long.
Data: <¨5A Ò > A8 35 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D299412510, 16 bytes long.
Data: < 5A Ò > 80 35 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D299412C40, 16 bytes long.
Data: <X5A Ò > 58 35 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D299412CE0, 16 bytes long.
Data: <05A Ò > 30 35 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D299412150, 16 bytes long.
Data: < ³@ Ò > 10 B3 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D29940B310, 40 bytes long.
Data: <P!A Ò à¸þšÒ > 50 21 41 99 D2 01 00 00 E0 B8 FE 9A D2 01 00 00
{257} normal block at 0x000001D299412FB0, 16 bytes long.
Data: < 5A Ò > 10 35 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D299412BF0, 16 bytes long.
Data: <è4A Ò > E8 34 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D29940C9E0, 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 0x000001D299412470, 16 bytes long.
Data: <À4A Ò > C0 34 41 99 D2 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001D2994134C0, 992 bytes long.
Data: <p$A Ò àÉ@ Ò > 70 24 41 99 D2 01 00 00 E0 C9 40 99 D2 01 00 00
{89} normal block at 0x000001D29940D5E0, 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 0x000001D2994068C0, 16 bytes long.
Data: <P¸@ Ò > 50 B8 40 99 D2 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001D29940B850, 40 bytes long.
Data: <Àh@ Ò àÕ@ Ò > C0 68 40 99 D2 01 00 00 E0 D5 40 99 D2 01 00 00
{66} normal block at 0x000001D2994069B0, 16 bytes long.
Data: < êl]÷ > 80 EA 6C 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D299407180, 16 bytes long.
Data: <@él]÷ > 40 E9 6C 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D2994073B0, 16 bytes long.
Data: <øWi]÷ > F8 57 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D2994067D0, 16 bytes long.
Data: <ØWi]÷ > D8 57 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D299407270, 16 bytes long.
Data: <P i]÷ > 50 04 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D299406820, 16 bytes long.
Data: <0 i]÷ > 30 04 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D299406DC0, 16 bytes long.
Data: <à i]÷ > E0 02 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D2994074A0, 16 bytes long.
Data: < i]÷ > 10 04 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D299406C30, 16 bytes long.
Data: <p i]÷ > 70 04 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D299406EB0, 16 bytes long.
Data: < Àg]÷ > 18 C0 67 5D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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