Task 38628183

Name cdk8_A06_A26_r0_1-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND3603_4
Workunit 31575179
Created 24 Apr 2026, 16:40:58 UTC
Sent 24 Apr 2026, 16:41:13 UTC
Report deadline 29 Apr 2026, 16:41:13 UTC
Received 24 Apr 2026, 16:48:38 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652222
Run time 1 min 46 sec
CPU time 19 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,981.32 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 474.77 MB
Peak swap size 6.30 GB
Peak disk usage 2.79 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:46:17 (22924): wrapper (7.9.26016): starting
18:46:17 (22924): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A26.inpcrd
QB_A06_A26_input.yaml
QB_A06_A26.pdb
QB_A06_A26.prmtop
QB_A06_A26_sys.xml
run.bat
run.sh
18:46:19 (22924): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:46:19 (22924): 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\4\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\4\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\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
    self.simulation.loadState(self.basename + "_0.xml")
  File "E:\ProgramData\BOINC\slots\4\Lib\site-packages\openmm\app\simulation.py", line 359, in loadState
    with open(file, 'r') as f:
         ^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A06_A26_0.xml'
18:46:52 (22924): C:/Windows/system32/cmd.exe exited; CPU time 19.109375
18:46:52 (22924): app exit status: 0x16
18:46:52 (22924): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 640165 bytes.
Dumping objects ->
{3835226} normal block at 0x000001769D056E20, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001769D056FE0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001769D056BF0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000001769D056F00, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001769D056B80, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000001769EC4C630, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000001769EC5F400, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835137} normal block at 0x000001769D04DB60, 8 bytes long.
 Data: <  &#253;&#156;v   > 00 00 FD 9C 76 01 00 00 
{3834544} normal block at 0x000001769EC5EDD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001769D04DED0, 8 bytes long.
 Data: <0&#219;  v   > 30 DB 03 9D 76 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001769D041280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001769D042310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001769D0553E0, 16 bytes long.
 Data: <&#232;h  v           > E8 68 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001769D055200, 16 bytes long.
 Data: <&#192;h  v           > C0 68 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001769D050440, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001769D0556B0, 16 bytes long.
 Data: < h  v           > 98 68 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001769D056150, 16 bytes long.
 Data: <ph  v           > 70 68 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001769D056100, 16 bytes long.
 Data: <Hh  v           > 48 68 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001769D056010, 16 bytes long.
 Data: < h  v           > 20 68 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001769D056F70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001769D0560B0, 16 bytes long.
 Data: <&#232;&#241;  v           > E8 F1 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001769D050500, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001769D0558E0, 16 bytes long.
 Data: <&#192;&#241;  v           > C0 F1 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001769D055840, 16 bytes long.
 Data: < &#241;  v           > 98 F1 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001769D0552F0, 16 bytes long.
 Data: <p&#241;  v           > 70 F1 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001769D055E30, 16 bytes long.
 Data: <H&#241;  v           > 48 F1 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001769D055390, 16 bytes long.
 Data: < &#241;  v           > 20 F1 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001769D0557A0, 16 bytes long.
 Data: <&#248;&#240;  v           > F8 F0 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001769D0501A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001769D055A20, 16 bytes long.
 Data: <&#208;&#240;  v           > D0 F0 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001769D03F0D0, 320 bytes long.
 Data: < Z  v   &#160;   v   > 20 5A 05 9D 76 01 00 00 A0 01 05 9D 76 01 00 00 
{280} normal block at 0x000001769D055430, 16 bytes long.
 Data: < h  v           > 00 68 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001769D055340, 16 bytes long.
 Data: <&#216;g  v           > D8 67 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001769D0503E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001769D055ED0, 16 bytes long.
 Data: <&#176;g  v           > B0 67 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001769D04FD20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001769D0559D0, 16 bytes long.
 Data: <&#248;f  v           > F8 66 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001769D055CF0, 16 bytes long.
 Data: <&#208;f  v           > D0 66 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001769D055570, 16 bytes long.
 Data: <&#168;f  v           > A8 66 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001769D0555C0, 16 bytes long.
 Data: < f  v           > 80 66 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001769D055C00, 16 bytes long.
 Data: <Xf  v           > 58 66 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001769D055520, 16 bytes long.
 Data: <0f  v           > 30 66 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001769D0557F0, 16 bytes long.
 Data: <&#240;   v           > F0 06 04 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001769D0406F0, 40 bytes long.
 Data: <&#240;W  v   0&#198;&#196;&#158;v   > F0 57 05 9D 76 01 00 00 30 C6 C4 9E 76 01 00 00 
{266} normal block at 0x000001769D055C50, 16 bytes long.
 Data: < f  v           > 10 66 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001769D055FC0, 16 bytes long.
 Data: <&#232;e  v           > E8 65 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001769D050560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001769D0552A0, 16 bytes long.
 Data: <&#192;e  v           > C0 65 05 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001769D0565C0, 992 bytes long.
 Data: <&#160;R  v   `   v   > A0 52 05 9D 76 01 00 00 60 05 05 9D 76 01 00 00 
{98} normal block at 0x000001769D04FDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001769D04DAC0, 16 bytes long.
 Data: <&#160;&#202;  v           > A0 CA 03 9D 76 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001769D03CAA0, 40 bytes long.
 Data: <&#192;&#218;  v   &#224;&#253;  v   > C0 DA 04 9D 76 01 00 00 E0 FD 04 9D 76 01 00 00 
{75} normal block at 0x000001769D04D660, 16 bytes long.
 Data: < &#234; &#173;&#246;           > 80 EA 7F AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001769D04DB10, 16 bytes long.
 Data: <@&#233; &#173;&#246;           > 40 E9 7F AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001769D04E100, 16 bytes long.
 Data: <&#248;W|&#173;&#246;           > F8 57 7C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001769D04D7A0, 16 bytes long.
 Data: <&#216;W|&#173;&#246;           > D8 57 7C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001769D04E470, 16 bytes long.
 Data: <P |&#173;&#246;           > 50 04 7C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001769D04DD90, 16 bytes long.
 Data: <0 |&#173;&#246;           > 30 04 7C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001769D04E290, 16 bytes long.
 Data: <&#224; |&#173;&#246;           > E0 02 7C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001769D04E4C0, 16 bytes long.
 Data: <  |&#173;&#246;           > 10 04 7C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001769D04E150, 16 bytes long.
 Data: <p |&#173;&#246;           > 70 04 7C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001769D04DFC0, 16 bytes long.
 Data: < &#192;z&#173;&#246;           > 18 C0 7A AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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