Task 38615497

Name hif2a_2_A39_A31_r0_3-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND3595_0
Workunit 31567797
Created 17 Apr 2026, 16:50:54 UTC
Sent 17 Apr 2026, 17:15:18 UTC
Report deadline 22 Apr 2026, 17:15:18 UTC
Received 17 Apr 2026, 17:20:04 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 642172
Run time 2 min 35 sec
CPU time 14 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 39.61 MB
Peak swap size 28.30 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>
12:17:18 (12024): wrapper (7.9.26016): starting
12:17:18 (12024): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A31_0.pdb
QB_A39_A31_0.xml
QB_A39_A31.inpcrd
QB_A39_A31_input.yaml
QB_A39_A31.pdb
QB_A39_A31.prmtop
QB_A39_A31_sys.xml
run.bat
run.sh
12:17:20 (12024): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:17:20 (12024): 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 0x00005d1c (most recent call first):
  <no Python frame>
12:18:02 (12024): C:/Windows/system32/cmd.exe exited; CPU time 14.281250
12:18:02 (12024): app exit status: 0x16
12:18:02 (12024): 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: 981159 bytes.
Dumping objects ->
{3835549} normal block at 0x00000220AB2D2850, 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 0x00000220AB2D2700, 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 0x00000220AB2D2540, 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 0x00000220AB2D2620, 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 0x00000220AB2D2460, 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 0x00000220AD186690, 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 0x00000220AD1A0E80, 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 0x00000220AB2D3B10, 8 bytes long.
 Data: <  &#224;&#172;    > 00 00 E0 AC 20 02 00 00 
{3834685} normal block at 0x00000220AD1A0850, 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 0x00000220AB2D4290, 8 bytes long.
 Data: <&#192;&#151; &#173;    > C0 97 1D AD 20 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000220AB2D5060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000220AB251E30, 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 0x00000220AB2D3ED0, 16 bytes long.
 Data: <H2-&#171;            > 48 32 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000220AB2D3C50, 16 bytes long.
 Data: < 2-&#171;            > 20 32 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000220AB2CACA0, 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 0x00000220AB2D3A20, 16 bytes long.
 Data: <&#248;1-&#171;            > F8 31 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000220AB2D3660, 16 bytes long.
 Data: <&#208;1-&#171;            > D0 31 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000220AB2D3930, 16 bytes long.
 Data: <&#168;1-&#171;            > A8 31 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000220AB2CEC80, 16 bytes long.
 Data: < 1-&#171;            > 80 31 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000220AB2D2690, 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 0x00000220AB2CE6E0, 16 bytes long.
 Data: <X,-&#171;            > 58 2C 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000220AB2CA880, 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 0x00000220AB2CEC30, 16 bytes long.
 Data: <0,-&#171;            > 30 2C 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000220AB2CF310, 16 bytes long.
 Data: < ,-&#171;            > 08 2C 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000220AB2CF2C0, 16 bytes long.
 Data: <&#224;+-&#171;            > E0 2B 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000220AB2CF1D0, 16 bytes long.
 Data: <&#184;+-&#171;            > B8 2B 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000220AB2CE690, 16 bytes long.
 Data: < +-&#171;            > 90 2B 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000220AB2CE640, 16 bytes long.
 Data: <h+-&#171;            > 68 2B 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000220AB2CB1E0, 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 0x00000220AB2CF180, 16 bytes long.
 Data: <@+-&#171;            > 40 2B 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000220AB2D2B40, 320 bytes long.
 Data: < &#241;,&#171;    &#224;&#177;,&#171;    > 80 F1 2C AB 20 02 00 00 E0 B1 2C AB 20 02 00 00 
{272} normal block at 0x00000220AB2CEBE0, 16 bytes long.
 Data: <`1-&#171;            > 60 31 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000220AB2CF130, 16 bytes long.
 Data: <81-&#171;            > 38 31 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000220AB2CA940, 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 0x00000220AB2CE960, 16 bytes long.
 Data: < 1-&#171;            > 10 31 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000220AB2CA6A0, 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 0x00000220AB2CF0E0, 16 bytes long.
 Data: <X0-&#171;            > 58 30 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000220AB2CEFF0, 16 bytes long.
 Data: <00-&#171;            > 30 30 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000220AB2CEFA0, 16 bytes long.
 Data: < 0-&#171;            > 08 30 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000220AB2CEB40, 16 bytes long.
 Data: <&#224;/-&#171;            > E0 2F 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000220AB2CEF50, 16 bytes long.
 Data: <&#184;/-&#171;            > B8 2F 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000220AB2CEAA0, 16 bytes long.
 Data: < /-&#171;            > 90 2F 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000220AB2CEA00, 16 bytes long.
 Data: <&#176;%-&#171;            > B0 25 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000220AB2D25B0, 40 bytes long.
 Data: < &#234;,&#171;     f &#173;    > 00 EA 2C AB 20 02 00 00 90 66 18 AD 20 02 00 00 
{258} normal block at 0x00000220AB2CE910, 16 bytes long.
 Data: <p/-&#171;            > 70 2F 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000220AB2CE500, 16 bytes long.
 Data: <H/-&#171;            > 48 2F 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000220AB2CAEE0, 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 0x00000220AB2CE8C0, 16 bytes long.
 Data: < /-&#171;            > 20 2F 2D AB 20 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000220AB2D2F20, 992 bytes long.
 Data: <&#192;&#232;,&#171;    &#224;&#174;,&#171;    > C0 E8 2C AB 20 02 00 00 E0 AE 2C AB 20 02 00 00 
{90} normal block at 0x00000220AB2CAE80, 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 0x00000220AB2CEE60, 16 bytes long.
 Data: <&#192;&#226;$&#171;            > C0 E2 24 AB 20 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000220AB24E2C0, 40 bytes long.
 Data: <`&#238;,&#171;     &#174;,&#171;    > 60 EE 2C AB 20 02 00 00 80 AE 2C AB 20 02 00 00 
{67} normal block at 0x00000220AB2CE5F0, 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 0x00000220AB2CEB90, 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 0x00000220AB2CE460, 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 0x00000220AB2CF090, 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 0x00000220AB2CEDC0, 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 0x00000220AB2CE550, 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 0x00000220AB2CED70, 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 0x00000220AB2CED20, 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 0x00000220AB294E30, 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 0x00000220AB294D40, 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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