Task 38613386

Name hif2a_A17_A16_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-4-6-RND4588_0
Workunit 31565877
Created 16 Apr 2026, 19:28:12 UTC
Sent 16 Apr 2026, 19:28:19 UTC
Report deadline 21 Apr 2026, 19:28:19 UTC
Received 16 Apr 2026, 19:31:41 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 43 sec
CPU time 8 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 55.67 MB
Peak swap size 39.54 MB
Peak disk usage 1.46 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>
14:29:35 (19352): wrapper (7.9.26016): starting
14:29:35 (19352): 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
14:29:38 (19352): Library/usr/bin/tar.exe exited; CPU time 0.046875
14:29:38 (19352): 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\0\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\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\0\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\0\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\0\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\0\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\0\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\0\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\0\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\0\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\0\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\0',
  ]
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 0x00002050 (most recent call first):
  <no Python frame>
14:30:09 (19352): C:/Windows/system32/cmd.exe exited; CPU time 8.890625
14:30:09 (19352): app exit status: 0x16
14:30:09 (19352): 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: 745267 bytes.
Dumping objects ->
{3835620} normal block at 0x00000293A8BB0830, 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 0x00000293A8BB06E0, 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 0x00000293A8BB0E50, 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 0x00000293A6BC1700, 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 0x00000293A6BC1A80, 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 0x00000293A8AA93F0, 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 0x00000293A8ABFA50, 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 0x00000293A6BBE6F0, 8 bytes long.
 Data: <   &#167;&#147;   > 00 00 02 A7 93 02 00 00 
{3834725} normal block at 0x00000293A8ABF4D0, 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 0x00000293A6BBF410, 8 bytes long.
 Data: <&#240;Z&#176;&#168;&#147;   > F0 5A B0 A8 93 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000293A6BC5A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000293A6B424B0, 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 0x00000293A6BC3830, 16 bytes long.
 Data: < 5&#188;&#166;&#147;           > 08 35 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000293A6BC3BA0, 16 bytes long.
 Data: <&#224;4&#188;&#166;&#147;           > E0 34 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000293A6BBE340, 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 0x00000293A6BC3C40, 16 bytes long.
 Data: <&#184;4&#188;&#166;&#147;           > B8 34 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000293A6BC3920, 16 bytes long.
 Data: < 4&#188;&#166;&#147;           > 90 34 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000293A6BC4280, 16 bytes long.
 Data: <h4&#188;&#166;&#147;           > 68 34 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000293A6BC3A10, 16 bytes long.
 Data: <@4&#188;&#166;&#147;           > 40 34 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000293A6BC19A0, 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 0x00000293A6BC4050, 16 bytes long.
 Data: < -&#188;&#166;&#147;           > 08 2D BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000293A6BBE280, 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 0x00000293A6BC3EC0, 16 bytes long.
 Data: <&#224;,&#188;&#166;&#147;           > E0 2C BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000293A6BC3A60, 16 bytes long.
 Data: <&#184;,&#188;&#166;&#147;           > B8 2C BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000293A6BC3B50, 16 bytes long.
 Data: < ,&#188;&#166;&#147;           > 90 2C BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000293A6BC36F0, 16 bytes long.
 Data: <h,&#188;&#166;&#147;           > 68 2C BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000293A6BC38D0, 16 bytes long.
 Data: <@,&#188;&#166;&#147;           > 40 2C BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000293A6BC3DD0, 16 bytes long.
 Data: < ,&#188;&#166;&#147;           > 18 2C BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000293A6BBE1C0, 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 0x00000293A6BC3880, 16 bytes long.
 Data: <&#240;+&#188;&#166;&#147;           > F0 2B BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000293A6BC2BF0, 320 bytes long.
 Data: < 8&#188;&#166;&#147;   &#192;&#225;&#187;&#166;&#147;   > 80 38 BC A6 93 02 00 00 C0 E1 BB A6 93 02 00 00 
{277} normal block at 0x00000293A6BC4410, 16 bytes long.
 Data: < 4&#188;&#166;&#147;           > 20 34 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000293A6BC3E20, 16 bytes long.
 Data: <&#248;3&#188;&#166;&#147;           > F8 33 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000293A6BBD6E0, 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 0x00000293A6BC3D80, 16 bytes long.
 Data: <&#208;3&#188;&#166;&#147;           > D0 33 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000293A6BBE0A0, 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 0x00000293A6BC3B00, 16 bytes long.
 Data: < 3&#188;&#166;&#147;           > 18 33 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000293A6BC3D30, 16 bytes long.
 Data: <&#240;2&#188;&#166;&#147;           > F0 32 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000293A6BC3CE0, 16 bytes long.
 Data: <&#200;2&#188;&#166;&#147;           > C8 32 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000293A6BBE7E0, 16 bytes long.
 Data: <&#160;2&#188;&#166;&#147;           > A0 32 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000293A6BBF3C0, 16 bytes long.
 Data: <x2&#188;&#166;&#147;           > 78 32 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000293A6BBE790, 16 bytes long.
 Data: <P2&#188;&#166;&#147;           > 50 32 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000293A6BBF140, 16 bytes long.
 Data: <&#176; &#188;&#166;&#147;           > B0 15 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000293A6BC15B0, 40 bytes long.
 Data: <@&#241;&#187;&#166;&#147;   &#240;&#147;&#170;&#168;&#147;   > 40 F1 BB A6 93 02 00 00 F0 93 AA A8 93 02 00 00 
{263} normal block at 0x00000293A6BBF000, 16 bytes long.
 Data: <02&#188;&#166;&#147;           > 30 32 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000293A6BBEE70, 16 bytes long.
 Data: < 2&#188;&#166;&#147;           > 08 32 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000293A6BBD7A0, 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 0x00000293A6BBEC90, 16 bytes long.
 Data: <&#224;1&#188;&#166;&#147;           > E0 31 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000293A6BC31E0, 992 bytes long.
 Data: < &#236;&#187;&#166;&#147;   &#160;&#215;&#187;&#166;&#147;   > 90 EC BB A6 93 02 00 00 A0 D7 BB A6 93 02 00 00 
{95} normal block at 0x00000293A6BBE100, 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 0x00000293A6BBEE20, 16 bytes long.
 Data: <&#208; &#188;&#166;&#147;           > D0 14 BC A6 93 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000293A6BC14D0, 40 bytes long.
 Data: < &#238;&#187;&#166;&#147;    &#225;&#187;&#166;&#147;   > 20 EE BB A6 93 02 00 00 00 E1 BB A6 93 02 00 00 
{72} normal block at 0x00000293A6BBEF10, 16 bytes long.
 Data: < &#234;&#171;&#178;&#247;           > 80 EA AB B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000293A6BBE510, 16 bytes long.
 Data: <@&#233;&#171;&#178;&#247;           > 40 E9 AB B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000293A6BBE880, 16 bytes long.
 Data: <&#248;W&#168;&#178;&#247;           > F8 57 A8 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000293A6BBEC40, 16 bytes long.
 Data: <&#216;W&#168;&#178;&#247;           > D8 57 A8 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000293A6BBE6A0, 16 bytes long.
 Data: <P &#168;&#178;&#247;           > 50 04 A8 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000293A6BBF370, 16 bytes long.
 Data: <0 &#168;&#178;&#247;           > 30 04 A8 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000293A6BBF320, 16 bytes long.
 Data: <&#224; &#168;&#178;&#247;           > E0 02 A8 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000293A6BBE9C0, 16 bytes long.
 Data: <  &#168;&#178;&#247;           > 10 04 A8 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000293A6BBE830, 16 bytes long.
 Data: <p &#168;&#178;&#247;           > 70 04 A8 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000293A6BBEB50, 16 bytes long.
 Data: < &#192;&#166;&#178;&#247;           > 18 C0 A6 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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