Task 38606458

Name hif2a_A03_A28_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a-0-6-RND4190_0
Workunit 31560245
Created 14 Apr 2026, 8:05:22 UTC
Sent 14 Apr 2026, 8:05:52 UTC
Report deadline 19 Apr 2026, 8:05:52 UTC
Received 14 Apr 2026, 8:10:30 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 30 sec
CPU time 24 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 50.16 MB
Peak swap size 36.50 MB
Peak disk usage 2.76 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>
03:07:17 (28996): wrapper (7.9.26016): starting
03:07:17 (28996): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A28_0.pdb
QB_A03_A28_0.xml
QB_A03_A28.inpcrd
QB_A03_A28_input.yaml
QB_A03_A28.pdb
QB_A03_A28.prmtop
QB_A03_A28_sys.xml
run.bat
run.sh
03:07:20 (28996): Library/usr/bin/tar.exe exited; CPU time 0.046875
03:07:20 (28996): 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 0x00007ccc (most recent call first):
  <no Python frame>
03:08:28 (28996): C:/Windows/system32/cmd.exe exited; CPU time 24.281250
03:08:28 (28996): app exit status: 0x16
03:08:28 (28996): 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: 1252255 bytes.
Dumping objects ->
{3835620} normal block at 0x00000201792F62D0, 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 0x00000201773D28C0, 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 0x00000201773D24D0, 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 0x00000201773D23F0, 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 0x00000201773D2460, 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 0x000002017929C530, 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 0x00000201792AF830, 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 0x00000201773CE5C0, 8 bytes long.
 Data: <  &#139;w    > 00 00 8B 77 01 02 00 00 
{3834725} normal block at 0x00000201792B01D0, 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 0x00000201773CF150, 8 bytes long.
 Data: <p&#215;4w    > 70 D7 34 77 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000201773D63A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020177351E10, 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 0x00000201773D3A90, 16 bytes long.
 Data: < 5=w            > 88 35 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000201773D4620, 16 bytes long.
 Data: <`5=w            > 60 35 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000201773CDD60, 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 0x00000201773D39A0, 16 bytes long.
 Data: <85=w            > 38 35 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000201773D3950, 16 bytes long.
 Data: < 5=w            > 10 35 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000201773D3900, 16 bytes long.
 Data: <&#232;4=w            > E8 34 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000201773D4580, 16 bytes long.
 Data: <&#192;4=w            > C0 34 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000201773D2A10, 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 0x00000201773D4350, 16 bytes long.
 Data: <&#200;,=w            > C8 2C 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000201773CDCA0, 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 0x00000201773D3770, 16 bytes long.
 Data: <&#160;,=w            > A0 2C 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000201773D4530, 16 bytes long.
 Data: <x,=w            > 78 2C 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000201773D3F90, 16 bytes long.
 Data: <P,=w            > 50 2C 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000201773D3F40, 16 bytes long.
 Data: <(,=w            > 28 2C 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000201773D4440, 16 bytes long.
 Data: < ,=w            > 00 2C 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000201773D38B0, 16 bytes long.
 Data: <&#216;+=w            > D8 2B 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000201773CE000, 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 0x00000201773D3EF0, 16 bytes long.
 Data: <&#176;+=w            > B0 2B 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000201773D2BB0, 320 bytes long.
 Data: <&#240;>=w     &#224;<w    > F0 3E 3D 77 01 02 00 00 00 E0 3C 77 01 02 00 00 
{277} normal block at 0x00000201773D3AE0, 16 bytes long.
 Data: <&#160;4=w            > A0 34 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000201773D4300, 16 bytes long.
 Data: <x4=w            > 78 34 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000201773CE120, 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 0x00000201773D3EA0, 16 bytes long.
 Data: <P4=w            > 50 34 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000201773CDBE0, 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 0x00000201773D3860, 16 bytes long.
 Data: < 3=w            > 98 33 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000201773D4260, 16 bytes long.
 Data: <p3=w            > 70 33 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000201773D45D0, 16 bytes long.
 Data: <H3=w            > 48 33 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000201773CE890, 16 bytes long.
 Data: < 3=w            > 20 33 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000201773CEAC0, 16 bytes long.
 Data: <&#248;2=w            > F8 32 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000201773CE7F0, 16 bytes long.
 Data: <&#208;2=w            > D0 32 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000201773CE610, 16 bytes long.
 Data: < '=w            > 00 27 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000201773D2700, 40 bytes long.
 Data: < &#230;<w    0&#197;)y    > 10 E6 3C 77 01 02 00 00 30 C5 29 79 01 02 00 00 
{263} normal block at 0x00000201773CE7A0, 16 bytes long.
 Data: <&#176;2=w            > B0 32 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000201773CE520, 16 bytes long.
 Data: < 2=w            > 88 32 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000201773CDD00, 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 0x00000201773CEBB0, 16 bytes long.
 Data: <`2=w            > 60 32 3D 77 01 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000201773D3260, 992 bytes long.
 Data: <&#176;&#235;<w     &#221;<w    > B0 EB 3C 77 01 02 00 00 00 DD 3C 77 01 02 00 00 
{95} normal block at 0x00000201773CDB20, 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 0x00000201773CEE80, 16 bytes long.
 Data: < &#193;4w            > 80 C1 34 77 01 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002017734C180, 40 bytes long.
 Data: < &#238;<w     &#219;<w    > 80 EE 3C 77 01 02 00 00 20 DB 3C 77 01 02 00 00 
{72} normal block at 0x00000201773CEA20, 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 0x00000201773CE750, 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 0x00000201773CEE30, 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 0x00000201773CECA0, 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 0x00000201773CE700, 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 0x00000201773CED40, 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 0x00000201773CEDE0, 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 0x00000201773CE6B0, 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 0x00000201773CF2E0, 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 0x00000201773CEED0, 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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