Task 38608121

Name p38_A22_A16_r0_2-QUICO_ATM_OpenFF_p38-0-6-RND6680_0
Workunit 31561539
Created 14 Apr 2026, 15:08:44 UTC
Sent 14 Apr 2026, 15:23:44 UTC
Report deadline 19 Apr 2026, 15:23:44 UTC
Received 14 Apr 2026, 15:34:23 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 54 sec
CPU time
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 31.58 MB
Peak swap size 21.32 MB
Peak disk usage 1.44 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>
10:24:32 (12172): wrapper (7.9.26016): starting
10:24:32 (12172): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A16_0.pdb
QB_A22_A16_0.xml
QB_A22_A16.inpcrd
QB_A22_A16_input.yaml
QB_A22_A16.pdb
QB_A22_A16.prmtop
QB_A22_A16_sys.xml
run.bat
run.sh
10:24:33 (12172): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:24:33 (12172): 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 0x00009ba4 (most recent call first):
  <no Python frame>
10:24:42 (12172): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
10:24:42 (12172): app exit status: 0x16
10:24:42 (12172): 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: 355411 bytes.
Dumping objects ->
{3835620} normal block at 0x000001E9FE500EA0, 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 0x000001E9FC6429A0, 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 0x000001E9FC642700, 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 0x000001E9FC642540, 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 0x000001E9FC642690, 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 0x000001E9FE428830, 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 0x000001E9FE43FE60, 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 0x000001E9FC63F150, 8 bytes long.
 Data: <  &#176;&#252;&#233;   > 00 00 B0 FC E9 01 00 00 
{3834725} normal block at 0x000001E9FE43F410, 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 0x000001E9FC63F380, 8 bytes long.
 Data: <p&#215;[&#252;&#233;   > 70 D7 5B FC E9 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E9FC645EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E9FC5C25F0, 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 0x000001E9FC643E00, 16 bytes long.
 Data: < 5d&#252;&#233;           > 88 35 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E9FC6443F0, 16 bytes long.
 Data: <`5d&#252;&#233;           > 60 35 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E9FC63DF40, 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 0x000001E9FC643950, 16 bytes long.
 Data: <85d&#252;&#233;           > 38 35 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E9FC643770, 16 bytes long.
 Data: < 5d&#252;&#233;           > 10 35 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E9FC6439F0, 16 bytes long.
 Data: <&#232;4d&#252;&#233;           > E8 34 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E9FC644170, 16 bytes long.
 Data: <&#192;4d&#252;&#233;           > C0 34 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E9FC642620, 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 0x000001E9FC644620, 16 bytes long.
 Data: <&#200;,d&#252;&#233;           > C8 2C 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E9FC63E2A0, 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 0x000001E9FC644080, 16 bytes long.
 Data: <&#160;,d&#252;&#233;           > A0 2C 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E9FC6438B0, 16 bytes long.
 Data: <x,d&#252;&#233;           > 78 2C 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E9FC6445D0, 16 bytes long.
 Data: <P,d&#252;&#233;           > 50 2C 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E9FC6439A0, 16 bytes long.
 Data: <(,d&#252;&#233;           > 28 2C 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E9FC644260, 16 bytes long.
 Data: < ,d&#252;&#233;           > 00 2C 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E9FC643720, 16 bytes long.
 Data: <&#216;+d&#252;&#233;           > D8 2B 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E9FC63D760, 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 0x000001E9FC643CC0, 16 bytes long.
 Data: <&#176;+d&#252;&#233;           > B0 2B 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E9FC642BB0, 320 bytes long.
 Data: <&#192;<d&#252;&#233;   `&#215;c&#252;&#233;   > C0 3C 64 FC E9 01 00 00 60 D7 63 FC E9 01 00 00 
{277} normal block at 0x000001E9FC644210, 16 bytes long.
 Data: <&#160;4d&#252;&#233;           > A0 34 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E9FC644490, 16 bytes long.
 Data: <x4d&#252;&#233;           > 78 34 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E9FC63D700, 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 0x000001E9FC643D10, 16 bytes long.
 Data: <P4d&#252;&#233;           > 50 34 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E9FC63DE20, 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 0x000001E9FC6437C0, 16 bytes long.
 Data: < 3d&#252;&#233;           > 98 33 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E9FC6442B0, 16 bytes long.
 Data: <p3d&#252;&#233;           > 70 33 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E9FC644120, 16 bytes long.
 Data: <H3d&#252;&#233;           > 48 33 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E9FC63F2E0, 16 bytes long.
 Data: < 3d&#252;&#233;           > 20 33 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E9FC63F290, 16 bytes long.
 Data: <&#248;2d&#252;&#233;           > F8 32 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E9FC63F240, 16 bytes long.
 Data: <&#208;2d&#252;&#233;           > D0 32 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E9FC63EC00, 16 bytes long.
 Data: <&#208;$d&#252;&#233;           > D0 24 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E9FC6424D0, 40 bytes long.
 Data: < &#236;c&#252;&#233;   0 B&#254;&#233;   > 00 EC 63 FC E9 01 00 00 30 88 42 FE E9 01 00 00 
{263} normal block at 0x000001E9FC63EB60, 16 bytes long.
 Data: <&#176;2d&#252;&#233;           > B0 32 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E9FC63E610, 16 bytes long.
 Data: < 2d&#252;&#233;           > 88 32 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E9FC63DDC0, 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 0x000001E9FC63ED90, 16 bytes long.
 Data: <`2d&#252;&#233;           > 60 32 64 FC E9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E9FC643260, 992 bytes long.
 Data: < &#237;c&#252;&#233;   &#192;&#221;c&#252;&#233;   > 90 ED 63 FC E9 01 00 00 C0 DD 63 FC E9 01 00 00 
{95} normal block at 0x000001E9FC63DC40, 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 0x000001E9FC63EDE0, 16 bytes long.
 Data: < &#193;[&#252;&#233;           > 80 C1 5B FC E9 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E9FC5BC180, 40 bytes long.
 Data: <&#224;&#237;c&#252;&#233;   @&#220;c&#252;&#233;   > E0 ED 63 FC E9 01 00 00 40 DC 63 FC E9 01 00 00 
{72} normal block at 0x000001E9FC63ED40, 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 0x000001E9FC63E570, 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 0x000001E9FC63ECF0, 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 0x000001E9FC63E9D0, 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 0x000001E9FC63EF70, 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 0x000001E9FC63EED0, 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 0x000001E9FC63E750, 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 0x000001E9FC63E840, 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 0x000001E9FC63EF20, 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 0x000001E9FC63F1A0, 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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