Task 38598974

Name PTP1B_A04_A03_r0_5-QUICO_ATM_GAFF2_NAGL_PTP1B-1-6-RND4650_0
Workunit 31553988
Created 8 Apr 2026, 13:45:53 UTC
Sent 8 Apr 2026, 13:45:55 UTC
Report deadline 13 Apr 2026, 13:45:55 UTC
Received 8 Apr 2026, 13:49:53 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 642172
Run time 1 min 36 sec
CPU time 10 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 8,885.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 60.10 MB
Peak swap size 43.02 MB
Peak disk usage 2.81 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:47:20 (11188): wrapper (7.9.26016): starting
08:47:20 (11188): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A03_0.pdb
QB_A04_A03_0.xml
QB_A04_A03.inpcrd
QB_A04_A03_input.yaml
QB_A04_A03.pdb
QB_A04_A03.prmtop
QB_A04_A03_sys.xml
run.bat
run.sh
08:47:21 (11188): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:47:21 (11188): 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 0x00005714 (most recent call first):
  <no Python frame>
08:47:52 (11188): C:/Windows/system32/cmd.exe exited; CPU time 10.718750
08:47:52 (11188): app exit status: 0x16
08:47:52 (11188): 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: 796851 bytes.
Dumping objects ->
{3835553} normal block at 0x000002690F2A17D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x000002690F2A1990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000002690F2A1C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835520} normal block at 0x000002690D4B2910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835509} normal block at 0x000002690D4B28A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835478} normal block at 0x000002690F2FA5B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x000002690F30FE60, 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) : {3835464} normal block at 0x000002690D4B4540, 8 bytes long.
 Data: <  &#130; i   > 00 00 82 0D 69 02 00 00 
{3834689} normal block at 0x000002690F30F620, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002690D4B3A00, 8 bytes long.
 Data: <p&#182;0 i   > 70 B6 30 0F 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002690D4B5320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002690D4322C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002690D4B46D0, 16 bytes long.
 Data: < 6K i           > 88 36 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002690D4B44A0, 16 bytes long.
 Data: <`6K i           > 60 36 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002690D4ADD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002690D4B4400, 16 bytes long.
 Data: <86K i           > 38 36 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002690D4B40E0, 16 bytes long.
 Data: < 6K i           > 10 36 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002690D4B4090, 16 bytes long.
 Data: <&#232;5K i           > E8 35 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002690D4AFAA0, 16 bytes long.
 Data: <&#192;5K i           > C0 35 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002690D4B2A60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002690D4AFA50, 16 bytes long.
 Data: < 0K i           > 98 30 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002690D4ADE70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002690D4AF8C0, 16 bytes long.
 Data: <p0K i           > 70 30 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002690D4AF870, 16 bytes long.
 Data: <H0K i           > 48 30 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002690D4AF730, 16 bytes long.
 Data: < 0K i           > 20 30 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002690D4AEDD0, 16 bytes long.
 Data: <&#248;/K i           > F8 2F 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002690D4AF690, 16 bytes long.
 Data: <&#208;/K i           > D0 2F 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002690D4AF410, 16 bytes long.
 Data: <&#168;/K i           > A8 2F 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002690D4ADC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002690D4AFB90, 16 bytes long.
 Data: < /K i           > 80 2F 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002690D4B2F80, 320 bytes long.
 Data: < &#251;J i    &#220;J i   > 90 FB 4A 0D 69 02 00 00 90 DC 4A 0D 69 02 00 00 
{274} normal block at 0x000002690D4AF3C0, 16 bytes long.
 Data: <&#160;5K i           > A0 35 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002690D4AF230, 16 bytes long.
 Data: <x5K i           > 78 35 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002690D4AE290, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002690D4AF190, 16 bytes long.
 Data: <P5K i           > 50 35 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002690D4AD7B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002690D4AF640, 16 bytes long.
 Data: < 4K i           > 98 34 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002690D4AF550, 16 bytes long.
 Data: <p4K i           > 70 34 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002690D4AF320, 16 bytes long.
 Data: <H4K i           > 48 34 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002690D4AF0A0, 16 bytes long.
 Data: < 4K i           > 20 34 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002690D4AF1E0, 16 bytes long.
 Data: <&#248;3K i           > F8 33 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002690D4AF140, 16 bytes long.
 Data: <&#208;3K i           > D0 33 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002690D4AF820, 16 bytes long.
 Data: <&#224;-K i           > E0 2D 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002690D4B2DE0, 40 bytes long.
 Data: < &#248;J i   &#176;&#165;/ i   > 20 F8 4A 0D 69 02 00 00 B0 A5 2F 0F 69 02 00 00 
{260} normal block at 0x000002690D4AF7D0, 16 bytes long.
 Data: <&#176;3K i           > B0 33 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002690D4AF000, 16 bytes long.
 Data: < 3K i           > 88 33 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002690D4AE0B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002690D4AF6E0, 16 bytes long.
 Data: <`3K i           > 60 33 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002690D4B3360, 992 bytes long.
 Data: <&#224;&#246;J i   &#176;&#224;J i   > E0 F6 4A 0D 69 02 00 00 B0 E0 4A 0D 69 02 00 00 
{92} normal block at 0x000002690D4ADA50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002690D4AED30, 16 bytes long.
 Data: < )K i           > 80 29 4B 0D 69 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002690D4B2980, 40 bytes long.
 Data: <0&#237;J i   P&#218;J i   > 30 ED 4A 0D 69 02 00 00 50 DA 4A 0D 69 02 00 00 
{69} normal block at 0x000002690D4AEC40, 16 bytes long.
 Data: < &#234;&#232; &#246;           > 80 EA E8 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002690D4AF780, 16 bytes long.
 Data: <@&#233;&#232; &#246;           > 40 E9 E8 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002690D4AECE0, 16 bytes long.
 Data: <&#248;W&#229; &#246;           > F8 57 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002690D4AF5A0, 16 bytes long.
 Data: <&#216;W&#229; &#246;           > D8 57 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002690D4AF280, 16 bytes long.
 Data: <P &#229; &#246;           > 50 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002690D4AEEC0, 16 bytes long.
 Data: <0 &#229; &#246;           > 30 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002690D4AFB40, 16 bytes long.
 Data: <&#224; &#229; &#246;           > E0 02 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002690D4AF050, 16 bytes long.
 Data: <  &#229; &#246;           > 10 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002690D474480, 16 bytes long.
 Data: <p &#229; &#246;           > 70 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002690D473AD0, 16 bytes long.
 Data: < &#192;&#227; &#246;           > 18 C0 E3 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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