Task 38656925

Name test_425-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8663_0
Workunit 31600621
Created 24 Oct 2026, 11:08:38 UTC
Sent 24 Oct 2026, 11:15:37 UTC
Report deadline 29 Oct 2026, 11:15:37 UTC
Received 24 Oct 2026, 11:27:43 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 632214
Run time 2 min 49 sec
CPU time 26 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 448.67 MB
Peak swap size 6.29 GB
Peak disk usage 1.44 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
04:25:29 (40368): wrapper (7.9.26016): starting
04:25:29 (40368): 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
04:25:31 (40368): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:25:31 (40368): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\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\7\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\7\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\7\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\7\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_NO_DEVICE (100) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
04:26:13 (40368): C:/Windows/system32/cmd.exe exited; CPU time 26.000000
04:26:13 (40368): app exit status: 0x16
04:26:13 (40368): 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: 864749 bytes.
Dumping objects ->
{3835198} normal block at 0x000002046CEB1480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000002046CEB1330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000002046CEB0990, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x000002046CEB1410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002046CEB1170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x000002046CF5DB10, 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) : {3835110} normal block at 0x000002046B3C6230, 8 bytes long.
 Data: <  9k    > 00 00 39 6B 04 02 00 00 
{3833951} normal block at 0x000002046B3C65A0, 8 bytes long.
 Data: <0&#148;&#251;l    > 30 94 FB 6C 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002046B3D27F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002046B3B5FA0, 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 0x000002046B3D40A0, 16 bytes long.
 Data: <x[=k            > 78 5B 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002046B3D4050, 16 bytes long.
 Data: <P[=k            > 50 5B 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002046B3CBA90, 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 0x000002046B3D3FB0, 16 bytes long.
 Data: <([=k            > 28 5B 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002046B3D3F60, 16 bytes long.
 Data: < [=k            > 00 5B 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002046B3D4000, 16 bytes long.
 Data: <&#216;Z=k            > D8 5A 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002046B3D3EC0, 16 bytes long.
 Data: <&#176;Z=k            > B0 5A 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002046B3CD330, 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 0x000002046B3D3E70, 16 bytes long.
 Data: <8_;k            > 38 5F 3B 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002046B3CB670, 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 0x000002046B3D4550, 16 bytes long.
 Data: < _;k            > 10 5F 3B 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002046B3D3E20, 16 bytes long.
 Data: <&#232;^;k            > E8 5E 3B 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002046B3D4410, 16 bytes long.
 Data: <&#192;^;k            > C0 5E 3B 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002046B3D3DD0, 16 bytes long.
 Data: < ^;k            > 98 5E 3B 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002046B3D3880, 16 bytes long.
 Data: <p^;k            > 70 5E 3B 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002046B3D3CE0, 16 bytes long.
 Data: <H^;k            > 48 5E 3B 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002046B3CAEF0, 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 0x000002046B3D3D30, 16 bytes long.
 Data: < ^;k            > 20 5E 3B 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002046B3B5E20, 320 bytes long.
 Data: <0==k    &#240;&#174;<k    > 30 3D 3D 6B 04 02 00 00 F0 AE 3C 6B 04 02 00 00 
{271} normal block at 0x000002046B3D4690, 16 bytes long.
 Data: < Z=k            > 90 5A 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002046B3D4140, 16 bytes long.
 Data: <hZ=k            > 68 5A 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002046B3CB2B0, 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 0x000002046B3D38D0, 16 bytes long.
 Data: <@Z=k            > 40 5A 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002046B3CB1F0, 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 0x000002046B3D3970, 16 bytes long.
 Data: < Y=k            > 88 59 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002046B3D42D0, 16 bytes long.
 Data: <`Y=k            > 60 59 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002046B3D47D0, 16 bytes long.
 Data: <8Y=k            > 38 59 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002046B3D3C90, 16 bytes long.
 Data: < Y=k            > 10 59 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002046B3D4280, 16 bytes long.
 Data: <&#232;X=k            > E8 58 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002046B3D3C40, 16 bytes long.
 Data: <&#192;X=k            > C0 58 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002046B3D46E0, 16 bytes long.
 Data: <&#192;&#210;<k            > C0 D2 3C 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002046B3CD2C0, 40 bytes long.
 Data: <&#224;F=k     &#219;&#245;l    > E0 46 3D 6B 04 02 00 00 10 DB F5 6C 04 02 00 00 
{257} normal block at 0x000002046B3D43C0, 16 bytes long.
 Data: <&#160;X=k            > A0 58 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002046B3D3AB0, 16 bytes long.
 Data: <xX=k            > 78 58 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002046B3CBC70, 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 0x000002046B3D4370, 16 bytes long.
 Data: <PX=k            > 50 58 3D 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002046B3D5850, 992 bytes long.
 Data: <pC=k    p&#188;<k    > 70 43 3D 6B 04 02 00 00 70 BC 3C 6B 04 02 00 00 
{89} normal block at 0x000002046B3CB5B0, 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 0x000002046B3C6FF0, 16 bytes long.
 Data: <p&#209;<k            > 70 D1 3C 6B 04 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002046B3CD170, 40 bytes long.
 Data: <&#240;o<k    &#176;&#181;<k    > F0 6F 3C 6B 04 02 00 00 B0 B5 3C 6B 04 02 00 00 
{66} normal block at 0x000002046B3C6500, 16 bytes long.
 Data: < &#234;L &#246;           > 80 EA 4C 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002046B3C64B0, 16 bytes long.
 Data: <@&#233;L &#246;           > 40 E9 4C 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002046B3C6370, 16 bytes long.
 Data: <&#248;WI &#246;           > F8 57 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002046B3C6E10, 16 bytes long.
 Data: <&#216;WI &#246;           > D8 57 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002046B3C61E0, 16 bytes long.
 Data: <P I &#246;           > 50 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002046B3C6FA0, 16 bytes long.
 Data: <0 I &#246;           > 30 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002046B3C6DC0, 16 bytes long.
 Data: <&#224; I &#246;           > E0 02 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002046B3C62D0, 16 bytes long.
 Data: <  I &#246;           > 10 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002046B3C6E60, 16 bytes long.
 Data: <p I &#246;           > 70 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002046B3C6F50, 16 bytes long.
 Data: < &#192;G &#246;           > 18 C0 47 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra