Task 38674618

Name test_938-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4377_0
Workunit 31616649
Created 26 Oct 2026, 5:50:04 UTC
Sent 26 Oct 2026, 5:50:09 UTC
Report deadline 31 Oct 2026, 5:50:09 UTC
Received 26 Oct 2026, 5:54:36 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648183
Run time 2 min 47 sec
CPU time 54 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 498.86 MB
Peak swap size 6.33 GB
Peak disk usage 2.79 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>
01:51:40 (21380): wrapper (7.9.26016): starting
01:51:40 (21380): 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
01:51:42 (21380): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:51:42 (21380): 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\16\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\16\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\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\16\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\16\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\16\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\16\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\16\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)
01:53:05 (21380): C:/Windows/system32/cmd.exe exited; CPU time 54.203125
01:53:05 (21380): app exit status: 0x16
01:53:05 (21380): 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: 1395685 bytes.
Dumping objects ->
{3835201} normal block at 0x0000023371A59730, 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 0x0000023371A59D50, 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 0x0000023371A595E0, 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 0x0000023371A59340, 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 0x0000023371A596C0, 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 0x00000233736B93C0, 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 0x0000023371A2DA20, 8 bytes long.
 Data: <  &#156;q3   > 00 00 9C 71 33 02 00 00 
{3833965} normal block at 0x0000023371A2D9D0, 8 bytes long.
 Data: <@&#220;&#161;q3   > 40 DC A1 71 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000023371A31F60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023371A26730, 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 0x0000023371A36B50, 16 bytes long.
 Data: <(p&#163;q3           > 28 70 A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023371A36150, 16 bytes long.
 Data: < p&#163;q3           > 00 70 A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023371A2FC80, 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 0x0000023371A35FC0, 16 bytes long.
 Data: <&#216;o&#163;q3           > D8 6F A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023371A36790, 16 bytes long.
 Data: <&#176;o&#163;q3           > B0 6F A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023371A366A0, 16 bytes long.
 Data: < o&#163;q3           > 88 6F A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023371A36100, 16 bytes long.
 Data: <`o&#163;q3           > 60 6F A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023371A30870, 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 0x0000023371A36920, 16 bytes long.
 Data: < &#247;&#161;q3           > 98 F7 A1 71 33 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023371A2FB00, 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 0x0000023371A36330, 16 bytes long.
 Data: <p&#247;&#161;q3           > 70 F7 A1 71 33 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023371A36560, 16 bytes long.
 Data: <H&#247;&#161;q3           > 48 F7 A1 71 33 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023371A35DE0, 16 bytes long.
 Data: < &#247;&#161;q3           > 20 F7 A1 71 33 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023371A36290, 16 bytes long.
 Data: <&#248;&#246;&#161;q3           > F8 F6 A1 71 33 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023371A361F0, 16 bytes long.
 Data: <&#208;&#246;&#161;q3           > D0 F6 A1 71 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023371A360B0, 16 bytes long.
 Data: <&#168;&#246;&#161;q3           > A8 F6 A1 71 33 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023371A2FD40, 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 0x0000023371A36470, 16 bytes long.
 Data: < &#246;&#161;q3           > 80 F6 A1 71 33 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023371A1F680, 320 bytes long.
 Data: <pd&#163;q3   @&#253;&#162;q3   > 70 64 A3 71 33 02 00 00 40 FD A2 71 33 02 00 00 
{278} normal block at 0x0000023371A35E80, 16 bytes long.
 Data: <@o&#163;q3           > 40 6F A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023371A36240, 16 bytes long.
 Data: < o&#163;q3           > 18 6F A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023371A2FAA0, 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 0x0000023371A36060, 16 bytes long.
 Data: <&#240;n&#163;q3           > F0 6E A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023371A2F8C0, 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 0x0000023371A362E0, 16 bytes long.
 Data: <8n&#163;q3           > 38 6E A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023371A36B00, 16 bytes long.
 Data: < n&#163;q3           > 10 6E A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023371A35F70, 16 bytes long.
 Data: <&#232;m&#163;q3           > E8 6D A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023371A36BF0, 16 bytes long.
 Data: <&#192;m&#163;q3           > C0 6D A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023371A36010, 16 bytes long.
 Data: < m&#163;q3           > 98 6D A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023371A36510, 16 bytes long.
 Data: <pm&#163;q3           > 70 6D A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023371A36420, 16 bytes long.
 Data: <  &#163;q3           > 00 08 A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023371A30800, 40 bytes long.
 Data: < d&#163;q3   &#192;&#147;ks3   > 20 64 A3 71 33 02 00 00 C0 93 6B 73 33 02 00 00 
{264} normal block at 0x0000023371A35F20, 16 bytes long.
 Data: <Pm&#163;q3           > 50 6D A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023371A369C0, 16 bytes long.
 Data: <(m&#163;q3           > 28 6D A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023371A2FA40, 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 0x0000023371A364C0, 16 bytes long.
 Data: < m&#163;q3           > 00 6D A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023371A36D00, 992 bytes long.
 Data: <&#192;d&#163;q3   @&#250;&#162;q3   > C0 64 A3 71 33 02 00 00 40 FA A2 71 33 02 00 00 
{96} normal block at 0x0000023371A2F860, 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 0x0000023371A2DD90, 16 bytes long.
 Data: <&#192;	&#163;q3           > C0 09 A3 71 33 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000023371A309C0, 40 bytes long.
 Data: < &#221;&#162;q3   `&#248;&#162;q3   > 90 DD A2 71 33 02 00 00 60 F8 A2 71 33 02 00 00 
{73} normal block at 0x0000023371A2D7F0, 16 bytes long.
 Data: < &#234;%a&#246;           > 80 EA 25 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023371A2DCF0, 16 bytes long.
 Data: <@&#233;%a&#246;           > 40 E9 25 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023371A2E380, 16 bytes long.
 Data: <&#248;W"a&#246;           > F8 57 22 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023371A2E1A0, 16 bytes long.
 Data: <&#216;W"a&#246;           > D8 57 22 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023371A2D8E0, 16 bytes long.
 Data: <P "a&#246;           > 50 04 22 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023371A2E6A0, 16 bytes long.
 Data: <0 "a&#246;           > 30 04 22 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023371A2E6F0, 16 bytes long.
 Data: <&#224; "a&#246;           > E0 02 22 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023371A2DE80, 16 bytes long.
 Data: <  "a&#246;           > 10 04 22 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023371A2D930, 16 bytes long.
 Data: <p "a&#246;           > 70 04 22 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023371A2E470, 16 bytes long.
 Data: < &#192; a&#246;           > 18 C0 20 61 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra