Task 38607187

Name CDK2_A12_A03_r0_4-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND2051_1
Workunit 31560797
Created 14 Apr 2026, 8:44:13 UTC
Sent 14 Apr 2026, 8:47:27 UTC
Report deadline 19 Apr 2026, 8:47:27 UTC
Received 14 Apr 2026, 8:56:16 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 38 sec
CPU time 22 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 50.36 MB
Peak swap size 37.20 MB
Peak disk usage 3.70 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>
03:53:10 (15680): wrapper (7.9.26016): starting
03:53:10 (15680): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A03_0.pdb
QB_A12_A03_0.xml
QB_A12_A03.inpcrd
QB_A12_A03_input.yaml
QB_A12_A03.pdb
QB_A12_A03.prmtop
QB_A12_A03_sys.xml
run.bat
run.sh
03:53:16 (15680): Library/usr/bin/tar.exe exited; CPU time 0.031250
03:53:16 (15680): 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\3\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\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\3\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\3\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\3\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\3\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\3\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\3\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\3\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\3\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\3\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\3',
  ]
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 0x0000c5a0 (most recent call first):
  <no Python frame>
03:54:28 (15680): C:/Windows/system32/cmd.exe exited; CPU time 22.578125
03:54:28 (15680): app exit status: 0x16
03:54:28 (15680): 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: 1396787 bytes.
Dumping objects ->
{3835620} normal block at 0x00000167306A1140, 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 0x000001672E862460, 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 0x000001672E8623F0, 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 0x000001672E862AF0, 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 0x000001672E862A80, 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 0x00000167305C8BB0, 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 0x00000167305E0070, 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 0x000001672E85F060, 8 bytes long.
 Data: <  )0g   > 00 00 29 30 67 01 00 00 
{3834725} normal block at 0x00000167305DFDB0, 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 0x000001672E85EF20, 8 bytes long.
 Data: <p&#215;}.g   > 70 D7 7D 2E 67 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001672E864FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001672E7E2790, 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 0x000001672E863C70, 16 bytes long.
 Data: < 5&#134;.g           > 88 35 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001672E863720, 16 bytes long.
 Data: <`5&#134;.g           > 60 35 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001672E85DAC0, 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 0x000001672E8638B0, 16 bytes long.
 Data: <85&#134;.g           > 38 35 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001672E864490, 16 bytes long.
 Data: < 5&#134;.g           > 10 35 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001672E864580, 16 bytes long.
 Data: <&#232;4&#134;.g           > E8 34 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001672E863B80, 16 bytes long.
 Data: <&#192;4&#134;.g           > C0 34 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001672E8629A0, 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 0x000001672E8641C0, 16 bytes long.
 Data: <&#200;,&#134;.g           > C8 2C 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001672E85E3C0, 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 0x000001672E864440, 16 bytes long.
 Data: <&#160;,&#134;.g           > A0 2C 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001672E863A40, 16 bytes long.
 Data: <x,&#134;.g           > 78 2C 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001672E8643F0, 16 bytes long.
 Data: <P,&#134;.g           > 50 2C 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001672E864350, 16 bytes long.
 Data: <(,&#134;.g           > 28 2C 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001672E864260, 16 bytes long.
 Data: < ,&#134;.g           > 00 2C 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001672E864530, 16 bytes long.
 Data: <&#216;+&#134;.g           > D8 2B 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001672E85E060, 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 0x000001672E863AE0, 16 bytes long.
 Data: <&#176;+&#134;.g           > B0 2B 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001672E862BB0, 320 bytes long.
 Data: <&#224;:&#134;.g   `&#224;&#133;.g   > E0 3A 86 2E 67 01 00 00 60 E0 85 2E 67 01 00 00 
{277} normal block at 0x000001672E863E50, 16 bytes long.
 Data: <&#160;4&#134;.g           > A0 34 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001672E864120, 16 bytes long.
 Data: <x4&#134;.g           > 78 34 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001672E85E300, 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 0x000001672E863810, 16 bytes long.
 Data: <P4&#134;.g           > 50 34 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001672E85E000, 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 0x000001672E864080, 16 bytes long.
 Data: < 3&#134;.g           > 98 33 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001672E863B30, 16 bytes long.
 Data: <p3&#134;.g           > 70 33 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001672E863C20, 16 bytes long.
 Data: <H3&#134;.g           > 48 33 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001672E85F010, 16 bytes long.
 Data: < 3&#134;.g           > 20 33 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001672E85E9D0, 16 bytes long.
 Data: <&#248;2&#134;.g           > F8 32 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001672E85E7F0, 16 bytes long.
 Data: <&#208;2&#134;.g           > D0 32 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001672E85EFC0, 16 bytes long.
 Data: <@%&#134;.g           > 40 25 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001672E862540, 40 bytes long.
 Data: <&#192;&#239;&#133;.g   &#176;&#139;\0g   > C0 EF 85 2E 67 01 00 00 B0 8B 5C 30 67 01 00 00 
{263} normal block at 0x000001672E85EED0, 16 bytes long.
 Data: <&#176;2&#134;.g           > B0 32 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001672E85ED90, 16 bytes long.
 Data: < 2&#134;.g           > 88 32 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001672E85DF40, 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 0x000001672E85E840, 16 bytes long.
 Data: <`2&#134;.g           > 60 32 86 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001672E863260, 992 bytes long.
 Data: <@&#232;&#133;.g   @&#223;&#133;.g   > 40 E8 85 2E 67 01 00 00 40 DF 85 2E 67 01 00 00 
{95} normal block at 0x000001672E85D820, 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 0x000001672E85E750, 16 bytes long.
 Data: < &#193;}.g           > 80 C1 7D 2E 67 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001672E7DC180, 40 bytes long.
 Data: <P&#231;&#133;.g    &#216;&#133;.g   > 50 E7 85 2E 67 01 00 00 20 D8 85 2E 67 01 00 00 
{72} normal block at 0x000001672E85E700, 16 bytes long.
 Data: < &#234;&#234;&#158;&#246;           > 80 EA EA 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001672E85EAC0, 16 bytes long.
 Data: <@&#233;&#234;&#158;&#246;           > 40 E9 EA 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001672E85F420, 16 bytes long.
 Data: <&#248;W&#231;&#158;&#246;           > F8 57 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001672E85ECA0, 16 bytes long.
 Data: <&#216;W&#231;&#158;&#246;           > D8 57 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001672E85F150, 16 bytes long.
 Data: <P &#231;&#158;&#246;           > 50 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001672E85EF70, 16 bytes long.
 Data: <0 &#231;&#158;&#246;           > 30 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001672E85E4D0, 16 bytes long.
 Data: <&#224; &#231;&#158;&#246;           > E0 02 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001672E85E8E0, 16 bytes long.
 Data: <  &#231;&#158;&#246;           > 10 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001672E85EBB0, 16 bytes long.
 Data: <p &#231;&#158;&#246;           > 70 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001672E85E6B0, 16 bytes long.
 Data: < &#192;&#229;&#158;&#246;           > 18 C0 E5 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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