Task 38667115
| Name | test_807-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND1036_1 |
| Workunit | 31609636 |
| Created | 25 Oct 2026, 6:24:25 UTC |
| Sent | 25 Oct 2026, 6:24:36 UTC |
| Report deadline | 30 Oct 2026, 6:24:36 UTC |
| Received | 25 Oct 2026, 6:36:51 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652570 |
| Run time | 3 min 33 sec |
| CPU time | 52 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 | 464.32 MB |
| Peak swap size | 4.80 GB |
| Peak disk usage | 1.49 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>
06:34:00 (1948): wrapper (7.9.26016): starting
06:34:00 (1948): 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
06:34:02 (1948): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:34:02 (1948): 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
06:35:41 (1948): C:/Windows/system32/cmd.exe exited; CPU time 52.250000
06:35:41 (1948): app exit status: 0x16
06:35:41 (1948): 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: 1314265 bytes.
Dumping objects ->
{3835181} normal block at 0x000001E01C927600, 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 0x000001E01C9276E0, 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 0x000001E01C927130, 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 0x000001E01C927280, 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 0x000001E01C9270C0, 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 0x000001E01E31D1E0, 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 0x000001E01C8F8720, 8 bytes long.
Data: < H à > 00 00 48 1E E0 01 00 00
{3833951} normal block at 0x000001E01C8F8B80, 8 bytes long.
Data: <° < à > B0 1E 3C 1E E0 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001E01C9029A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E01C9038E0, 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 0x000001E01C903C10, 16 bytes long.
Data: <ÈL à > C8 4C 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E01C904840, 16 bytes long.
Data: < L à > A0 4C 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E01C8FED20, 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 0x000001E01C9047A0, 16 bytes long.
Data: <xL à > 78 4C 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E01C904700, 16 bytes long.
Data: <PL à > 50 4C 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E01C904570, 16 bytes long.
Data: <(L à > 28 4C 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E01C9044D0, 16 bytes long.
Data: < L à > 00 4C 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E01C8FCB60, 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 0x000001E01C903B20, 16 bytes long.
Data: <x8 à > 78 38 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E01C8FEC60, 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 0x000001E01C904520, 16 bytes long.
Data: <P8 à > 50 38 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E01C904480, 16 bytes long.
Data: <(8 à > 28 38 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E01C904430, 16 bytes long.
Data: < 8 à > 00 38 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E01C903BC0, 16 bytes long.
Data: <Ø7 à > D8 37 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E01C903C60, 16 bytes long.
Data: <°7 à > B0 37 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E01C904110, 16 bytes long.
Data: < 7 à > 88 37 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E01C8FEBA0, 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 0x000001E01C903A80, 16 bytes long.
Data: <`7 à > 60 37 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E01C903760, 320 bytes long.
Data: < : à  ë à > 80 3A 90 1C E0 01 00 00 A0 EB 8F 1C E0 01 00 00
{271} normal block at 0x000001E01C9042A0, 16 bytes long.
Data: <àK à > E0 4B 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E01C9046B0, 16 bytes long.
Data: <¸K à > B8 4B 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E01C8FEB40, 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 0x000001E01C9040C0, 16 bytes long.
Data: < K à > 90 4B 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E01C8FEA80, 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 0x000001E01C904250, 16 bytes long.
Data: <ØJ à > D8 4A 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E01C9041B0, 16 bytes long.
Data: <°J à > B0 4A 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E01C904160, 16 bytes long.
Data: < J à > 88 4A 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E01C903E90, 16 bytes long.
Data: <`J à > 60 4A 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E01C904070, 16 bytes long.
Data: <8J à > 38 4A 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E01C904020, 16 bytes long.
Data: < J à > 10 4A 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E01C9042F0, 16 bytes long.
Data: < Ð à > A0 D0 8F 1C E0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E01C8FD0A0, 40 bytes long.
Data: <ðB à àÑ1 à > F0 42 90 1C E0 01 00 00 E0 D1 31 1E E0 01 00 00
{257} normal block at 0x000001E01C9043E0, 16 bytes long.
Data: <ðI à > F0 49 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E01C904610, 16 bytes long.
Data: <ÈI à > C8 49 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001E01C8FE720, 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 0x000001E01C903F80, 16 bytes long.
Data: < I à > A0 49 90 1C E0 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001E01C9049A0, 992 bytes long.
Data: < ? à ç à > 80 3F 90 1C E0 01 00 00 20 E7 8F 1C E0 01 00 00
{89} normal block at 0x000001E01C8FE120, 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 0x000001E01C8F8540, 16 bytes long.
Data: <ðÊ à > F0 CA 8F 1C E0 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001E01C8FCAF0, 40 bytes long.
Data: <@… à á à > 40 85 8F 1C E0 01 00 00 20 E1 8F 1C E0 01 00 00
{66} normal block at 0x000001E01C8F8D10, 16 bytes long.
Data: < êqýö > 80 EA 71 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E01C8F8A90, 16 bytes long.
Data: <@éqýö > 40 E9 71 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E01C8F8A40, 16 bytes long.
Data: <øWnýö > F8 57 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E01C8F89F0, 16 bytes long.
Data: <ØWnýö > D8 57 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E01C8F7FF0, 16 bytes long.
Data: <P nýö > 50 04 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E01C8F8C20, 16 bytes long.
Data: <0 nýö > 30 04 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E01C8F8CC0, 16 bytes long.
Data: <à nýö > E0 02 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E01C8F8BD0, 16 bytes long.
Data: < nýö > 10 04 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E01C8F8450, 16 bytes long.
Data: <p nýö > 70 04 6E FD F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E01C8F83B0, 16 bytes long.
Data: < Àlýö > 18 C0 6C FD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra