Task 38627649

Name cdk8_A28_A09_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND9653_3
Workunit 31577401
Created 24 Apr 2026, 12:43:20 UTC
Sent 24 Apr 2026, 12:43:43 UTC
Report deadline 29 Apr 2026, 12:43:43 UTC
Received 24 Apr 2026, 13:06:04 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648017
Run time 1 min 47 sec
CPU time 23 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 82,586.25 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 495.76 MB
Peak swap size 9.34 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Operativsystemet kan ikke k�re (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:03:32 (16392): wrapper (7.9.26016): starting
15:03:32 (16392): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A09.inpcrd
QB_A28_A09_input.yaml
QB_A28_A09.pdb
QB_A28_A09.prmtop
QB_A28_A09_sys.xml
run.bat
run.sh
15:03:33 (16392): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:03:33 (16392): 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\5\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\5\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\5\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\5\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 "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
    self.simulation.loadState(self.basename + "_0.xml")
  File "C:\ProgramData\BOINC\slots\5\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_A28_A09_0.xml'
15:04:19 (16392): C:/Windows/system32/cmd.exe exited; CPU time 23.343750
15:04:19 (16392): app exit status: 0x16
15:04:19 (16392): called boinc_finish(195)
0 bytes in 0 Free Blocks.
534 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: 839811 bytes.
Dumping objects ->
{3835516} normal block at 0x0000016FACCD9F00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x0000016FACCDA130, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x0000016FACCB4C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x0000016FACCB4BA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x0000016FACCB4CF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x0000016FAEA779C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x0000016FACD19A60, 139 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) : {3835427} normal block at 0x0000016FACCAD220, 8 bytes long.
 Data: <  &#200;&#172;o   > 00 00 C8 AC 6F 01 00 00 
{3834684} normal block at 0x0000016FACD1A4F0, 139 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000016FACCAD0E0, 8 bytes long.
 Data: < :&#173;&#174;o   > 20 3A AD AE 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000016FACCA1020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016FACCA1F50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000016FACCB5700, 16 bytes long.
 Data: <&#232;d&#203;&#172;o           > E8 64 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016FACCB5DE0, 16 bytes long.
 Data: <&#192;d&#203;&#172;o           > C0 64 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016FACCB12F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000016FACCB56B0, 16 bytes long.
 Data: < d&#203;&#172;o           > 98 64 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016FACCB5660, 16 bytes long.
 Data: <pd&#203;&#172;o           > 70 64 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016FACCB5610, 16 bytes long.
 Data: <Hd&#203;&#172;o           > 48 64 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016FACCB5D90, 16 bytes long.
 Data: < d&#203;&#172;o           > 20 64 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016FACCB45F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000016FACCB55C0, 16 bytes long.
 Data: <( &#202;&#172;o           > 28 06 CA AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016FACCB1410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000016FACCB5200, 16 bytes long.
 Data: <  &#202;&#172;o           > 00 06 CA AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016FACCB5480, 16 bytes long.
 Data: <&#216; &#202;&#172;o           > D8 05 CA AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016FACCB5D40, 16 bytes long.
 Data: <&#176; &#202;&#172;o           > B0 05 CA AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016FACCB5570, 16 bytes long.
 Data: <  &#202;&#172;o           > 88 05 CA AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016FACCB5430, 16 bytes long.
 Data: <` &#202;&#172;o           > 60 05 CA AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016FACCB5F70, 16 bytes long.
 Data: <8 &#202;&#172;o           > 38 05 CA AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016FACCB1290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000016FACCB5840, 16 bytes long.
 Data: <  &#202;&#172;o           > 10 05 CA AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016FACCA0510, 320 bytes long.
 Data: <@X&#203;&#172;o     &#203;&#172;o   > 40 58 CB AC 6F 01 00 00 90 12 CB AC 6F 01 00 00 
{273} normal block at 0x0000016FACCB5BB0, 16 bytes long.
 Data: < d&#203;&#172;o           > 00 64 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016FACCB5CA0, 16 bytes long.
 Data: <&#216;c&#203;&#172;o           > D8 63 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016FACCB0A50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000016FACCB6150, 16 bytes long.
 Data: <&#176;c&#203;&#172;o           > B0 63 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016FACCB0F30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000016FACCB53E0, 16 bytes long.
 Data: <&#248;b&#203;&#172;o           > F8 62 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016FACCB59D0, 16 bytes long.
 Data: <&#208;b&#203;&#172;o           > D0 62 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016FACCB5390, 16 bytes long.
 Data: <&#168;b&#203;&#172;o           > A8 62 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016FACCB5520, 16 bytes long.
 Data: < b&#203;&#172;o           > 80 62 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016FACCB5340, 16 bytes long.
 Data: <Xb&#203;&#172;o           > 58 62 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016FACCB5CF0, 16 bytes long.
 Data: <0b&#203;&#172;o           > 30 62 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016FACCB6100, 16 bytes long.
 Data: <&#176;G&#203;&#172;o           > B0 47 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016FACCB47B0, 40 bytes long.
 Data: < a&#203;&#172;o   &#192;y&#167;&#174;o   > 00 61 CB AC 6F 01 00 00 C0 79 A7 AE 6F 01 00 00 
{259} normal block at 0x0000016FACCB5890, 16 bytes long.
 Data: < b&#203;&#172;o           > 10 62 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016FACCB60B0, 16 bytes long.
 Data: <&#232;a&#203;&#172;o           > E8 61 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016FACCB0C90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000016FACCB52F0, 16 bytes long.
 Data: <&#192;a&#203;&#172;o           > C0 61 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016FACCB61C0, 992 bytes long.
 Data: <&#240;R&#203;&#172;o     &#203;&#172;o   > F0 52 CB AC 6F 01 00 00 90 0C CB AC 6F 01 00 00 
{91} normal block at 0x0000016FACCB07B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000016FACCAD4F0, 16 bytes long.
 Data: <@G&#203;&#172;o           > 40 47 CB AC 6F 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000016FACCB4740, 40 bytes long.
 Data: <&#240;&#212;&#202;&#172;o   &#176; &#203;&#172;o   > F0 D4 CA AC 6F 01 00 00 B0 07 CB AC 6F 01 00 00 
{68} normal block at 0x0000016FACCAD9A0, 16 bytes long.
 Data: < &#234; &#203;&#246;           > 80 EA 1C CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016FACCADB80, 16 bytes long.
 Data: <@&#233; &#203;&#246;           > 40 E9 1C CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016FACCADC20, 16 bytes long.
 Data: <&#248;W &#203;&#246;           > F8 57 19 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016FACCAD130, 16 bytes long.
 Data: <&#216;W &#203;&#246;           > D8 57 19 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016FACCADDB0, 16 bytes long.
 Data: <P  &#203;&#246;           > 50 04 19 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016FACCADD10, 16 bytes long.
 Data: <0  &#203;&#246;           > 30 04 19 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016FACCAD9F0, 16 bytes long.
 Data: <&#224;  &#203;&#246;           > E0 02 19 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016FACCADAE0, 16 bytes long.
 Data: <   &#203;&#246;           > 10 04 19 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016FACCAD4A0, 16 bytes long.
 Data: <p  &#203;&#246;           > 70 04 19 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016FACCAD6D0, 16 bytes long.
 Data: < &#192; &#203;&#246;           > 18 C0 17 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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