Task 38611705

Name hif2a_A17_A16_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a-5-6-RND2454_0
Workunit 31564401
Created 15 Apr 2026, 22:30:05 UTC
Sent 15 Apr 2026, 22:30:16 UTC
Report deadline 20 Apr 2026, 22:30:16 UTC
Received 15 Apr 2026, 22:33:33 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 1 min 33 sec
CPU time 2 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 48.03 MB
Peak swap size 34.03 MB
Peak disk usage 1.54 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>
17:31:29 (17272): wrapper (7.9.26016): starting
17:31:29 (17272): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A16_0.pdb
QB_A17_A16_0.xml
QB_A17_A16.inpcrd
QB_A17_A16_input.yaml
QB_A17_A16.pdb
QB_A17_A16.prmtop
QB_A17_A16_sys.xml
run.bat
run.sh
17:31:30 (17272): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:30 (17272): 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 0x00009cc8 (most recent call first):
  <no Python frame>
17:31:58 (17272): C:/Windows/system32/cmd.exe exited; CPU time 2.250000
17:31:58 (17272): app exit status: 0x16
17:31:58 (17272): 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: 674623 bytes.
Dumping objects ->
{3835620} normal block at 0x0000018342F3B100, 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 0x00000183411026E0, 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 0x0000018341102590, 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 0x0000018341102910, 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 0x0000018341102830, 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 0x0000018342F26EA0, 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 0x0000018342F3F4D0, 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 0x00000183410FEBE0, 8 bytes long.
 Data: <  TA&#131;   > 00 00 54 41 83 01 00 00 
{3834725} normal block at 0x0000018342F3FB00, 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 0x00000183410FE820, 8 bytes long.
 Data: <@&#215; A&#131;   > 40 D7 07 41 83 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000018341105AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000183410819B0, 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 0x0000018341103750, 16 bytes long.
 Data: <h5 A&#131;           > 68 35 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018341104290, 16 bytes long.
 Data: <@5 A&#131;           > 40 35 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000183410FE3A0, 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 0x0000018341104380, 16 bytes long.
 Data: < 5 A&#131;           > 18 35 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018341103D90, 16 bytes long.
 Data: <&#240;4 A&#131;           > F0 34 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018341103A70, 16 bytes long.
 Data: <&#200;4 A&#131;           > C8 34 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000183411041A0, 16 bytes long.
 Data: <&#160;4 A&#131;           > A0 34 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018341102750, 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 0x0000018341104100, 16 bytes long.
 Data: <&#168;, A&#131;           > A8 2C 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000183410FD6E0, 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 0x0000018341104240, 16 bytes long.
 Data: < , A&#131;           > 80 2C 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018341103A20, 16 bytes long.
 Data: <X, A&#131;           > 58 2C 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018341104150, 16 bytes long.
 Data: <0, A&#131;           > 30 2C 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018341104420, 16 bytes long.
 Data: < , A&#131;           > 08 2C 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000183411043D0, 16 bytes long.
 Data: <&#224;+ A&#131;           > E0 2B 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018341104060, 16 bytes long.
 Data: <&#184;+ A&#131;           > B8 2B 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000183410FDE00, 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 0x00000183411040B0, 16 bytes long.
 Data: < + A&#131;           > 90 2B 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018341102B90, 320 bytes long.
 Data: <&#176;@ A&#131;    &#222; A&#131;   > B0 40 10 41 83 01 00 00 00 DE 0F 41 83 01 00 00 
{277} normal block at 0x0000018341103BB0, 16 bytes long.
 Data: < 4 A&#131;           > 80 34 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018341103B10, 16 bytes long.
 Data: <X4 A&#131;           > 58 34 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000183410FD680, 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 0x0000018341104560, 16 bytes long.
 Data: <04 A&#131;           > 30 34 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000183410FD800, 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 0x00000183411039D0, 16 bytes long.
 Data: <x3 A&#131;           > 78 33 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018341103F20, 16 bytes long.
 Data: <P3 A&#131;           > 50 33 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000183411044C0, 16 bytes long.
 Data: <(3 A&#131;           > 28 33 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000183410FF360, 16 bytes long.
 Data: < 3 A&#131;           > 00 33 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000183410FEA50, 16 bytes long.
 Data: <&#216;2 A&#131;           > D8 32 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000183410FF220, 16 bytes long.
 Data: <&#176;2 A&#131;           > B0 32 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000183410FE960, 16 bytes long.
 Data: < ) A&#131;           > 80 29 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018341102980, 40 bytes long.
 Data: <`&#233; A&#131;   &#160;n&#242;B&#131;   > 60 E9 0F 41 83 01 00 00 A0 6E F2 42 83 01 00 00 
{263} normal block at 0x00000183410FF1D0, 16 bytes long.
 Data: < 2 A&#131;           > 90 32 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000183410FE910, 16 bytes long.
 Data: <h2 A&#131;           > 68 32 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000183410FD500, 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 0x00000183410FE7D0, 16 bytes long.
 Data: <@2 A&#131;           > 40 32 10 41 83 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018341103240, 992 bytes long.
 Data: <&#208;&#231; A&#131;    &#213; A&#131;   > D0 E7 0F 41 83 01 00 00 00 D5 0F 41 83 01 00 00 
{95} normal block at 0x00000183410FDF80, 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 0x00000183410FEF00, 16 bytes long.
 Data: <&#192;&#241; A&#131;           > C0 F1 07 41 83 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001834107F1C0, 40 bytes long.
 Data: < &#239; A&#131;    &#223; A&#131;   > 00 EF 0F 41 83 01 00 00 80 DF 0F 41 83 01 00 00 
{72} normal block at 0x00000183410FED20, 16 bytes long.
 Data: < &#234;&#133;&#133;&#246;           > 80 EA 85 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000183410FF180, 16 bytes long.
 Data: <@&#233;&#133;&#133;&#246;           > 40 E9 85 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000183410FE9B0, 16 bytes long.
 Data: <&#248;W&#130;&#133;&#246;           > F8 57 82 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000183410FF310, 16 bytes long.
 Data: <&#216;W&#130;&#133;&#246;           > D8 57 82 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000183410FE640, 16 bytes long.
 Data: <P &#130;&#133;&#246;           > 50 04 82 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000183410FEB40, 16 bytes long.
 Data: <0 &#130;&#133;&#246;           > 30 04 82 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000183410FE730, 16 bytes long.
 Data: <&#224; &#130;&#133;&#246;           > E0 02 82 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000183410FE500, 16 bytes long.
 Data: <  &#130;&#133;&#246;           > 10 04 82 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000183410FE5F0, 16 bytes long.
 Data: <p &#130;&#133;&#246;           > 70 04 82 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000183410FEAF0, 16 bytes long.
 Data: < &#192; &#133;&#246;           > 18 C0 80 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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