Task 38657900

Name test_760-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND7597_0
Workunit 31601518
Created 24 Oct 2026, 12:07:42 UTC
Sent 24 Oct 2026, 12:16:27 UTC
Report deadline 29 Oct 2026, 12:16:27 UTC
Received 24 Oct 2026, 12:30:51 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 632214
Run time 3 min 44 sec
CPU time 53 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 395.36 MB
Peak swap size 6.23 GB
Peak disk usage 3.02 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>
05:27:50 (9664): wrapper (7.9.26016): starting
05:27:50 (9664): 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
05:27:52 (9664): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:27:52 (9664): 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
05:29:16 (9664): C:/Windows/system32/cmd.exe exited; CPU time 53.359375
05:29:16 (9664): app exit status: 0x16
05:29:16 (9664): 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: 1413979 bytes.
Dumping objects ->
{3835198} normal block at 0x0000011735E90AE0, 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 0x0000011735E90FB0, 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 0x0000011735E90E60, 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 0x0000011735E90A70, 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 0x0000011735E90F40, 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 0x0000011735F3BC80, 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 0x0000011734276E60, 8 bytes long.
 Data: <  $4    > 00 00 24 34 17 01 00 00 
{3833951} normal block at 0x0000011734276550, 8 bytes long.
 Data: <pw&#249;5    > 70 77 F9 35 17 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000011734280780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000011734265FA0, 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 0x00000117342823F0, 16 bytes long.
 Data: < ?(4            > 08 3F 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000117342823A0, 16 bytes long.
 Data: <&#224;>(4            > E0 3E 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001173427B4F0, 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 0x0000011734282260, 16 bytes long.
 Data: <&#184;>(4            > B8 3E 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000117342819A0, 16 bytes long.
 Data: < >(4            > 90 3E 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000011734282210, 16 bytes long.
 Data: <h>(4            > 68 3E 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000011734281CC0, 16 bytes long.
 Data: <@>(4            > 40 3E 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001173427D100, 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 0x0000011734282170, 16 bytes long.
 Data: <8_&4            > 38 5F 26 34 17 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001173427BD30, 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 0x00000117342820D0, 16 bytes long.
 Data: < _&4            > 10 5F 26 34 17 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000011734282350, 16 bytes long.
 Data: <&#232;^&4            > E8 5E 26 34 17 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000117342824E0, 16 bytes long.
 Data: <&#192;^&4            > C0 5E 26 34 17 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000011734281FE0, 16 bytes long.
 Data: < ^&4            > 98 5E 26 34 17 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000011734282080, 16 bytes long.
 Data: <p^&4            > 70 5E 26 34 17 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000011734281C70, 16 bytes long.
 Data: <H^&4            > 48 5E 26 34 17 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001173427B490, 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 0x0000011734281E50, 16 bytes long.
 Data: < ^&4            > 20 5E 26 34 17 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000011734265E20, 320 bytes long.
 Data: <P (4     &#180;'4    > 50 1E 28 34 17 01 00 00 90 B4 27 34 17 01 00 00 
{271} normal block at 0x0000011734282030, 16 bytes long.
 Data: < >(4            > 20 3E 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000011734281F90, 16 bytes long.
 Data: <&#248;=(4            > F8 3D 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001173427BA90, 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 0x0000011734281B30, 16 bytes long.
 Data: <&#208;=(4            > D0 3D 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001173427B8B0, 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 0x0000011734281860, 16 bytes long.
 Data: < =(4            > 18 3D 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000011734282440, 16 bytes long.
 Data: <&#240;<(4            > F0 3C 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000011734282670, 16 bytes long.
 Data: <&#200;<(4            > C8 3C 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000011734282580, 16 bytes long.
 Data: <&#160;<(4            > A0 3C 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000011734282120, 16 bytes long.
 Data: <x<(4            > 78 3C 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000011734281EF0, 16 bytes long.
 Data: <P<(4            > 50 3C 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000117342818B0, 16 bytes long.
 Data: < &#205;'4            > 80 CD 27 34 17 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001173427CD80, 40 bytes long.
 Data: <&#176; (4     &#188;&#243;5    > B0 18 28 34 17 01 00 00 80 BC F3 35 17 01 00 00 
{257} normal block at 0x0000011734282300, 16 bytes long.
 Data: <0<(4            > 30 3C 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000011734281BD0, 16 bytes long.
 Data: < <(4            > 08 3C 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001173427B430, 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 0x0000011734281DB0, 16 bytes long.
 Data: <&#224;;(4            > E0 3B 28 34 17 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000011734283BE0, 992 bytes long.
 Data: <&#176; (4    0&#180;'4    > B0 1D 28 34 17 01 00 00 30 B4 27 34 17 01 00 00 
{89} normal block at 0x000001173427AE30, 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 0x0000011734276EB0, 16 bytes long.
 Data: <0&#211;'4            > 30 D3 27 34 17 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001173427D330, 40 bytes long.
 Data: <&#176;n'4    0&#174;'4    > B0 6E 27 34 17 01 00 00 30 AE 27 34 17 01 00 00 
{66} normal block at 0x0000011734276960, 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 0x0000011734276410, 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 0x0000011734276AA0, 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 0x0000011734276500, 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 0x0000011734276D70, 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 0x0000011734276460, 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 0x0000011734276D20, 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 0x00000117342760A0, 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 0x0000011734276190, 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 0x0000011734276910, 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