Task 38615421

Name hif2a_2_A39_A14_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND7765_0
Workunit 31567722
Created 17 Apr 2026, 16:49:53 UTC
Sent 17 Apr 2026, 17:11:22 UTC
Report deadline 22 Apr 2026, 17:11:22 UTC
Received 17 Apr 2026, 17:15:18 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 55 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 8,885.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 53.45 MB
Peak swap size 37.24 MB
Peak disk usage 3.91 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>
12:12:58 (14628): wrapper (7.9.26016): starting
12:12:58 (14628): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A14_0.pdb
QB_A39_A14_0.xml
QB_A39_A14.inpcrd
QB_A39_A14_input.yaml
QB_A39_A14.pdb
QB_A39_A14.prmtop
QB_A39_A14_sys.xml
run.bat
run.sh
12:13:00 (14628): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:13:00 (14628): 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\12\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\12\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\12\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\12\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\12\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\12\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\12'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\12'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\12\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\12'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\12'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\12\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\12\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\12\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\12\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\12',
  ]
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 0x000043fc (most recent call first):
  <no Python frame>
12:13:25 (14628): C:/Windows/system32/cmd.exe exited; CPU time 1.546875
12:13:25 (14628): app exit status: 0x16
12:13:25 (14628): 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: 678805 bytes.
Dumping objects ->
{3835549} normal block at 0x000001CDEF6117B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835538} normal block at 0x000001CDEF6116D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835527} normal block at 0x000001CDEF611740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835516} normal block at 0x000001CDEF611660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x000001CDEF6115F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835474} normal block at 0x000001CDF1489BD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835463} normal block at 0x000001CDF149FA70, 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) : {3835460} normal block at 0x000001CDEF612530, 8 bytes long.
 Data: <  $&#241;&#205;   > 00 00 24 F1 CD 01 00 00 
{3834685} normal block at 0x000001CDF149F7B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001CDEF6127B0, 8 bytes long.
 Data: < &#154;c&#239;&#205;   > 90 9A 63 EF CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001CDEF6143A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CDEF591830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001CDEF612E90, 16 bytes long.
 Data: <  a&#239;&#205;           > 88 1F 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CDEF6128F0, 16 bytes long.
 Data: <` a&#239;&#205;           > 60 1F 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CDEF609480, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001CDEF612D50, 16 bytes long.
 Data: <8 a&#239;&#205;           > 38 1F 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CDEF612EE0, 16 bytes long.
 Data: <  a&#239;&#205;           > 10 1F 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CDEF612B20, 16 bytes long.
 Data: <&#232; a&#239;&#205;           > E8 1E 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CDEF60DD00, 16 bytes long.
 Data: <&#192; a&#239;&#205;           > C0 1E 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CDEF611B30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001CDEF60DCB0, 16 bytes long.
 Data: <8 a&#239;&#205;           > 38 13 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CDEF6096C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001CDEF60E1B0, 16 bytes long.
 Data: <  a&#239;&#205;           > 10 13 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CDEF60DC10, 16 bytes long.
 Data: <&#232; a&#239;&#205;           > E8 12 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CDEF60E160, 16 bytes long.
 Data: <&#192; a&#239;&#205;           > C0 12 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CDEF60D990, 16 bytes long.
 Data: <  a&#239;&#205;           > 98 12 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CDEF60DB70, 16 bytes long.
 Data: <p a&#239;&#205;           > 70 12 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CDEF60DF80, 16 bytes long.
 Data: <H a&#239;&#205;           > 48 12 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CDEF608D60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001CDEF60D490, 16 bytes long.
 Data: <  a&#239;&#205;           > 20 12 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CDEF611220, 320 bytes long.
 Data: < &#212;`&#239;&#205;   ` `&#239;&#205;   > 90 D4 60 EF CD 01 00 00 60 8D 60 EF CD 01 00 00 
{272} normal block at 0x000001CDEF60DAD0, 16 bytes long.
 Data: <&#160; a&#239;&#205;           > A0 1E 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CDEF60D3F0, 16 bytes long.
 Data: <x a&#239;&#205;           > 78 1E 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CDEF608FA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001CDEF60D8F0, 16 bytes long.
 Data: <P a&#239;&#205;           > 50 1E 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CDEF6098A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001CDEF60D8A0, 16 bytes long.
 Data: <  a&#239;&#205;           > 98 1D 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CDEF60DE40, 16 bytes long.
 Data: <p a&#239;&#205;           > 70 1D 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CDEF60D850, 16 bytes long.
 Data: <H a&#239;&#205;           > 48 1D 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CDEF60D760, 16 bytes long.
 Data: <  a&#239;&#205;           > 20 1D 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CDEF60D6C0, 16 bytes long.
 Data: <&#248; a&#239;&#205;           > F8 1C 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CDEF60D670, 16 bytes long.
 Data: <&#208; a&#239;&#205;           > D0 1C 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CDEF60D620, 16 bytes long.
 Data: <&#224; a&#239;&#205;           > E0 19 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CDEF6119E0, 40 bytes long.
 Data: < &#214;`&#239;&#205;   &#208;&#155;H&#241;&#205;   > 20 D6 60 EF CD 01 00 00 D0 9B 48 F1 CD 01 00 00 
{258} normal block at 0x000001CDEF60DD50, 16 bytes long.
 Data: <&#176; a&#239;&#205;           > B0 1C 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CDEF60D940, 16 bytes long.
 Data: <  a&#239;&#205;           > 88 1C 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CDEF609720, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001CDEF60D5D0, 16 bytes long.
 Data: <` a&#239;&#205;           > 60 1C 61 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001CDEF611C60, 992 bytes long.
 Data: <&#208;&#213;`&#239;&#205;    &#151;`&#239;&#205;   > D0 D5 60 EF CD 01 00 00 20 97 60 EF CD 01 00 00 
{90} normal block at 0x000001CDEF609120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001CDEF60D7B0, 16 bytes long.
 Data: <&#160;&#202;`&#239;&#205;           > A0 CA 60 EF CD 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001CDEF60CAA0, 40 bytes long.
 Data: <&#176;&#215;`&#239;&#205;    &#145;`&#239;&#205;   > B0 D7 60 EF CD 01 00 00 20 91 60 EF CD 01 00 00 
{67} normal block at 0x000001CDEF60D710, 16 bytes long.
 Data: < &#234;&#174;2&#247;           > 80 EA AE 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CDEF60E070, 16 bytes long.
 Data: <@&#233;&#174;2&#247;           > 40 E9 AE 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CDEF60D800, 16 bytes long.
 Data: <&#248;W&#171;2&#247;           > F8 57 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CDEF60DEE0, 16 bytes long.
 Data: <&#216;W&#171;2&#247;           > D8 57 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CDEF60DA30, 16 bytes long.
 Data: <P &#171;2&#247;           > 50 04 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CDEF60DFD0, 16 bytes long.
 Data: <0 &#171;2&#247;           > 30 04 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CDEF60D350, 16 bytes long.
 Data: <&#224; &#171;2&#247;           > E0 02 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CDEF60E0C0, 16 bytes long.
 Data: <  &#171;2&#247;           > 10 04 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CDEF5D3520, 16 bytes long.
 Data: <p &#171;2&#247;           > 70 04 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CDEF5D34D0, 16 bytes long.
 Data: < &#192;&#169;2&#247;           > 18 C0 A9 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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