Task 38667007

Name test_644-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8454_2
Workunit 31608635
Created 25 Oct 2026, 5:54:09 UTC
Sent 25 Oct 2026, 5:55:06 UTC
Report deadline 30 Oct 2026, 5:55:06 UTC
Received 25 Oct 2026, 5:58:06 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648183
Run time 1 min 50 sec
CPU time 19 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,859.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 374.63 MB
Peak swap size 6.21 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>
01:56:23 (19832): wrapper (7.9.26016): starting
01:56:23 (19832): 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
01:56:24 (19832): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:56:24 (19832): 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\14\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\14\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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\14\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\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\14\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\14\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\14\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
    _openmm.Context_swiginit(self, _openmm.new_Context(*args))
                                   ^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error loading CUDA module: CUDA_ERROR_JIT_COMPILER_NOT_FOUND (221)
01:57:01 (19832): C:/Windows/system32/cmd.exe exited; CPU time 19.093750
01:57:01 (19832): app exit status: 0x16
01:57:01 (19832): 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: 726233 bytes.
Dumping objects ->
{3835201} normal block at 0x0000022774A39E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000022774A39340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000022774A397A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835168} normal block at 0x0000022774A39500, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x0000022774A396C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835126} normal block at 0x00000227765EA840, 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) : {3835113} normal block at 0x0000022774A0E240, 8 bytes long.
 Data: <  &#215;t'   > 00 00 D7 74 27 02 00 00 
{3833965} normal block at 0x0000022774A0DD40, 8 bytes long.
 Data: <@&#220;&#159;t'   > 40 DC 9F 74 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000022774A11E20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022774A06DF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000022774A16510, 16 bytes long.
 Data: <(p&#161;t'           > 28 70 A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022774A16240, 16 bytes long.
 Data: < p&#161;t'           > 00 70 A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022774A0FEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000022774A15E80, 16 bytes long.
 Data: <&#216;o&#161;t'           > D8 6F A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022774A16C40, 16 bytes long.
 Data: <&#176;o&#161;t'           > B0 6F A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022774A16100, 16 bytes long.
 Data: < o&#161;t'           > 88 6F A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022774A163D0, 16 bytes long.
 Data: <`o&#161;t'           > 60 6F A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022774A10720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000022774A16790, 16 bytes long.
 Data: < &#247;&#159;t'           > 98 F7 9F 74 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022774A0F740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000022774A161A0, 16 bytes long.
 Data: <p&#247;&#159;t'           > 70 F7 9F 74 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022774A16150, 16 bytes long.
 Data: <H&#247;&#159;t'           > 48 F7 9F 74 27 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022774A164C0, 16 bytes long.
 Data: < &#247;&#159;t'           > 20 F7 9F 74 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022774A160B0, 16 bytes long.
 Data: <&#248;&#246;&#159;t'           > F8 F6 9F 74 27 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022774A16650, 16 bytes long.
 Data: <&#208;&#246;&#159;t'           > D0 F6 9F 74 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022774A16010, 16 bytes long.
 Data: <&#168;&#246;&#159;t'           > A8 F6 9F 74 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022774A10280, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000022774A15FC0, 16 bytes long.
 Data: < &#246;&#159;t'           > 80 F6 9F 74 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000227749FF680, 320 bytes long.
 Data: <&#192;_&#161;t'     &#161;t'   > C0 5F A1 74 27 02 00 00 80 02 A1 74 27 02 00 00 
{278} normal block at 0x0000022774A161F0, 16 bytes long.
 Data: <@o&#161;t'           > 40 6F A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022774A166F0, 16 bytes long.
 Data: < o&#161;t'           > 18 6F A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022774A0FB00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000022774A15D90, 16 bytes long.
 Data: <&#240;n&#161;t'           > F0 6E A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022774A0F6E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000022774A16470, 16 bytes long.
 Data: <8n&#161;t'           > 38 6E A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022774A162E0, 16 bytes long.
 Data: < n&#161;t'           > 10 6E A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022774A166A0, 16 bytes long.
 Data: <&#232;m&#161;t'           > E8 6D A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022774A15F70, 16 bytes long.
 Data: <&#192;m&#161;t'           > C0 6D A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022774A16B50, 16 bytes long.
 Data: < m&#161;t'           > 98 6D A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022774A16420, 16 bytes long.
 Data: <pm&#161;t'           > 70 6D A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022774A168D0, 16 bytes long.
 Data: <  &#161;t'           > 90 07 A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022774A10790, 40 bytes long.
 Data: <&#208;h&#161;t'   @&#168;^v'   > D0 68 A1 74 27 02 00 00 40 A8 5E 76 27 02 00 00 
{264} normal block at 0x0000022774A165B0, 16 bytes long.
 Data: <Pm&#161;t'           > 50 6D A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022774A16920, 16 bytes long.
 Data: <(m&#161;t'           > 28 6D A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022774A10100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000022774A16A10, 16 bytes long.
 Data: < m&#161;t'           > 00 6D A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022774A16D00, 992 bytes long.
 Data: < j&#161;t'     &#161;t'   > 10 6A A1 74 27 02 00 00 00 01 A1 74 27 02 00 00 
{96} normal block at 0x0000022774A0FB60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000022774A0E060, 16 bytes long.
 Data: <0 &#161;t'           > 30 0A A1 74 27 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000022774A10A30, 40 bytes long.
 Data: <`&#224;&#160;t'   `&#251;&#160;t'   > 60 E0 A0 74 27 02 00 00 60 FB A0 74 27 02 00 00 
{73} normal block at 0x0000022774A0DA70, 16 bytes long.
 Data: < &#234;&#250;&#238;&#246;           > 80 EA FA EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022774A0DC50, 16 bytes long.
 Data: <@&#233;&#250;&#238;&#246;           > 40 E9 FA EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022774A0E100, 16 bytes long.
 Data: <&#248;W&#247;&#238;&#246;           > F8 57 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022774A0DB60, 16 bytes long.
 Data: <&#216;W&#247;&#238;&#246;           > D8 57 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022774A0E290, 16 bytes long.
 Data: <P &#247;&#238;&#246;           > 50 04 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022774A0DCF0, 16 bytes long.
 Data: <0 &#247;&#238;&#246;           > 30 04 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022774A0E1F0, 16 bytes long.
 Data: <&#224; &#247;&#238;&#246;           > E0 02 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022774A0E420, 16 bytes long.
 Data: <  &#247;&#238;&#246;           > 10 04 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022774A0DC00, 16 bytes long.
 Data: <p &#247;&#238;&#246;           > 70 04 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022774A0DA20, 16 bytes long.
 Data: < &#192;&#245;&#238;&#246;           > 18 C0 F5 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra