Task 38611499

Name JNK1_A10_A09_r0_1-QUICO_ATM_OpenFF_JNK1-1-6-RND7096_0
Workunit 31564228
Created 15 Apr 2026, 20:13:36 UTC
Sent 15 Apr 2026, 20:13:46 UTC
Report deadline 20 Apr 2026, 20:13:46 UTC
Received 15 Apr 2026, 20:18:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 2 min 39 sec
CPU time 17 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,155.48 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 50.57 MB
Peak swap size 37.43 MB
Peak disk usage 3.78 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>
15:15:15 (40184): wrapper (7.9.26016): starting
15:15:15 (40184): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A09_0.pdb
QB_A10_A09_0.xml
QB_A10_A09.inpcrd
QB_A10_A09_input.yaml
QB_A10_A09.pdb
QB_A10_A09.prmtop
QB_A10_A09_sys.xml
run.bat
run.sh
15:15:18 (40184): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:15:18 (40184): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
The system cannot find the file specified.
Could Not Find C:\ProgramData\BOINC\slots\1\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\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\1\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.
Could not find platform independent libraries <prefix>
Python path configuration:
  PYTHONHOME = (not set)
  PYTHONPATH = 'C:\ProgramData\BOINC\slots\1\Lib\python3.11\site-packages'
  program name = 'python.exe'
  isolated = 0
  environment = 1
  user site = 1
  safe_path = 0
  import site = 1
  is in build tree = 0
  stdlib dir = 'C:\ProgramData\BOINC\slots\1\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\1\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\1\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\1\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\1\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\1\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\1\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\1',
  ]
Fatal Python error: init_fs_encoding: failed to get the Python codec of the filesystem encoding
Python runtime state: core initialized
ModuleNotFoundError: No module named 'encodings'

Current thread 0x0000acd8 (most recent call first):
  <no Python frame>
15:16:34 (40184): C:/Windows/system32/cmd.exe exited; CPU time 17.500000
15:16:34 (40184): app exit status: 0x16
15:16:34 (40184): 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: 1673171 bytes.
Dumping objects ->
{3835620} normal block at 0x000002A58359B2B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x000002A58359B400, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835598} normal block at 0x000002A58359B780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835587} normal block at 0x000002A581713120, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835576} normal block at 0x000002A581713350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835545} normal block at 0x000002A58354DC20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x000002A5835615D0, 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) : {3835531} normal block at 0x000002A58170FEC0, 8 bytes long.
 Data: <  &#197; &#165;   > 00 00 C5 81 A5 02 00 00 
{3834725} normal block at 0x000002A5835611B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002A581710DC0, 8 bytes long.
 Data: <`UZ&#131;&#165;   > 60 55 5A 83 A5 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002A581716E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002A5816921D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002A581715E70, 16 bytes long.
 Data: <&#168;Pq &#165;           > A8 50 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A581715600, 16 bytes long.
 Data: < Pq &#165;           > 80 50 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A58170F570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002A5817160F0, 16 bytes long.
 Data: <XPq &#165;           > 58 50 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A581715470, 16 bytes long.
 Data: <0Pq &#165;           > 30 50 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A581715DD0, 16 bytes long.
 Data: < Pq &#165;           > 08 50 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A581715330, 16 bytes long.
 Data: <&#224;Oq &#165;           > E0 4F 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A581713430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002A581715380, 16 bytes long.
 Data: <X&#235;p &#165;           > 58 EB 70 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A58170F330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002A5817152E0, 16 bytes long.
 Data: <0&#235;p &#165;           > 30 EB 70 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A581715510, 16 bytes long.
 Data: < &#235;p &#165;           > 08 EB 70 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A581715F60, 16 bytes long.
 Data: <&#224;&#234;p &#165;           > E0 EA 70 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A5817160A0, 16 bytes long.
 Data: <&#184;&#234;p &#165;           > B8 EA 70 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A581715B50, 16 bytes long.
 Data: < &#234;p &#165;           > 90 EA 70 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A581715C40, 16 bytes long.
 Data: <h&#234;p &#165;           > 68 EA 70 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A58170EF10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002A581715880, 16 bytes long.
 Data: <@&#234;p &#165;           > 40 EA 70 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A58170EA40, 320 bytes long.
 Data: < Xq &#165;    &#239;p &#165;   > 80 58 71 81 A5 02 00 00 10 EF 70 81 A5 02 00 00 
{277} normal block at 0x000002A581715E20, 16 bytes long.
 Data: <&#192;Oq &#165;           > C0 4F 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A581716050, 16 bytes long.
 Data: < Oq &#165;           > 98 4F 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A58170F030, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002A581715C90, 16 bytes long.
 Data: <pOq &#165;           > 70 4F 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A58170F0F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002A581715290, 16 bytes long.
 Data: <&#184;Nq &#165;           > B8 4E 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A581715D30, 16 bytes long.
 Data: < Nq &#165;           > 90 4E 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A581715240, 16 bytes long.
 Data: <hNq &#165;           > 68 4E 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A5817100F0, 16 bytes long.
 Data: <@Nq &#165;           > 40 4E 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A5817108C0, 16 bytes long.
 Data: < Nq &#165;           > 18 4E 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A581710780, 16 bytes long.
 Data: <&#240;Mq &#165;           > F0 4D 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A581710640, 16 bytes long.
 Data: < 2q &#165;           > 00 32 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A581713200, 40 bytes long.
 Data: <@ q &#165;    &#220;T&#131;&#165;   > 40 06 71 81 A5 02 00 00 20 DC 54 83 A5 02 00 00 
{263} normal block at 0x000002A58170FFB0, 16 bytes long.
 Data: <&#208;Mq &#165;           > D0 4D 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A581710B90, 16 bytes long.
 Data: <&#168;Mq &#165;           > A8 4D 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A58170F7B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002A581710730, 16 bytes long.
 Data: < Mq &#165;           > 80 4D 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A581714D80, 992 bytes long.
 Data: <0 q &#165;   &#176;&#247;p &#165;   > 30 07 71 81 A5 02 00 00 B0 F7 70 81 A5 02 00 00 
{95} normal block at 0x000002A58170FC30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002A581710000, 16 bytes long.
 Data: <&#160;-q &#165;           > A0 2D 71 81 A5 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002A581712DA0, 40 bytes long.
 Data: <  q &#165;   0&#252;p &#165;   > 00 00 71 81 A5 02 00 00 30 FC 70 81 A5 02 00 00 
{72} normal block at 0x000002A581710D20, 16 bytes long.
 Data: < &#234;&#196;&#217;&#247;           > 80 EA C4 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A5817100A0, 16 bytes long.
 Data: <@&#233;&#196;&#217;&#247;           > 40 E9 C4 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A5817105F0, 16 bytes long.
 Data: <&#248;W&#193;&#217;&#247;           > F8 57 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A581710690, 16 bytes long.
 Data: <&#216;W&#193;&#217;&#247;           > D8 57 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A581710550, 16 bytes long.
 Data: <P &#193;&#217;&#247;           > 50 04 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A581710960, 16 bytes long.
 Data: <0 &#193;&#217;&#247;           > 30 04 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A581710C80, 16 bytes long.
 Data: <&#224; &#193;&#217;&#247;           > E0 02 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A581710820, 16 bytes long.
 Data: <  &#193;&#217;&#247;           > 10 04 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A581710C30, 16 bytes long.
 Data: <p &#193;&#217;&#247;           > 70 04 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A581710BE0, 16 bytes long.
 Data: < &#192;&#191;&#217;&#247;           > 18 C0 BF D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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