Task 38608859

Name hif2a_A41_A38_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-2-6-RND5346_0
Workunit 31562049
Created 14 Apr 2026, 19:02:07 UTC
Sent 14 Apr 2026, 19:02:11 UTC
Report deadline 19 Apr 2026, 19:02:11 UTC
Received 14 Apr 2026, 19:06:18 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 56 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 38.99 MB
Peak swap size 28.13 MB
Peak disk usage 1.54 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>
14:03:13 (27384): wrapper (7.9.26016): starting
14:03:13 (27384): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A38_0.pdb
QB_A41_A38_0.xml
QB_A41_A38.inpcrd
QB_A41_A38_input.yaml
QB_A41_A38.pdb
QB_A41_A38.prmtop
QB_A41_A38_sys.xml
run.bat
run.sh
14:03:14 (27384): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:03:14 (27384): 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 0x00002dbc (most recent call first):
  <no Python frame>
14:03:25 (27384): C:/Windows/system32/cmd.exe exited; CPU time 0.250000
14:03:25 (27384): app exit status: 0x16
14:03:25 (27384): 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: 500615 bytes.
Dumping objects ->
{3835620} normal block at 0x000001CF1F351290, 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 0x000001CF1D4C2AF0, 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 0x000001CF1D4C2A80, 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 0x000001CF1D4C2A10, 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 0x000001CF1D4C2850, 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 0x000001CF1F275430, 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 0x000001CF1F28F620, 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 0x000001CF1D4BF0B0, 8 bytes long.
 Data: <  &#233; &#207;   > 00 00 E9 1E CF 01 00 00 
{3834725} normal block at 0x000001CF1F28FA40, 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 0x000001CF1D4BF100, 8 bytes long.
 Data: <p&#215;C &#207;   > 70 D7 43 1D CF 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001CF1D4C50E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001CF1D4425E0, 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 0x000001CF1D4C4170, 16 bytes long.
 Data: < 5L &#207;           > 88 35 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CF1D4C43A0, 16 bytes long.
 Data: <`5L &#207;           > 60 35 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CF1D4BDA00, 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 0x000001CF1D4C3F40, 16 bytes long.
 Data: <85L &#207;           > 38 35 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CF1D4C4350, 16 bytes long.
 Data: < 5L &#207;           > 10 35 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CF1D4C3950, 16 bytes long.
 Data: <&#232;4L &#207;           > E8 34 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CF1D4C4440, 16 bytes long.
 Data: <&#192;4L &#207;           > C0 34 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CF1D4C29A0, 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 0x000001CF1D4C4120, 16 bytes long.
 Data: <&#200;,L &#207;           > C8 2C 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CF1D4BD9A0, 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 0x000001CF1D4C3900, 16 bytes long.
 Data: <&#160;,L &#207;           > A0 2C 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CF1D4C40D0, 16 bytes long.
 Data: <x,L &#207;           > 78 2C 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CF1D4C4620, 16 bytes long.
 Data: <P,L &#207;           > 50 2C 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CF1D4C3E50, 16 bytes long.
 Data: <(,L &#207;           > 28 2C 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CF1D4C3FE0, 16 bytes long.
 Data: < ,L &#207;           > 00 2C 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CF1D4C3C20, 16 bytes long.
 Data: <&#216;+L &#207;           > D8 2B 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CF1D4BDD00, 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 0x000001CF1D4C44E0, 16 bytes long.
 Data: <&#176;+L &#207;           > B0 2B 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CF1D4C2BB0, 320 bytes long.
 Data: <&#224;DL &#207;    &#221;K &#207;   > E0 44 4C 1D CF 01 00 00 00 DD 4B 1D CF 01 00 00 
{277} normal block at 0x000001CF1D4C3CC0, 16 bytes long.
 Data: <&#160;4L &#207;           > A0 34 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CF1D4C3A40, 16 bytes long.
 Data: <x4L &#207;           > 78 34 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CF1D4BD940, 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 0x000001CF1D4C3F90, 16 bytes long.
 Data: <P4L &#207;           > 50 34 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CF1D4BE3C0, 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 0x000001CF1D4C3E00, 16 bytes long.
 Data: < 3L &#207;           > 98 33 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CF1D4C4210, 16 bytes long.
 Data: <p3L &#207;           > 70 33 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CF1D4C3AE0, 16 bytes long.
 Data: <H3L &#207;           > 48 33 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CF1D4BE610, 16 bytes long.
 Data: < 3L &#207;           > 20 33 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CF1D4BE5C0, 16 bytes long.
 Data: <&#248;2L &#207;           > F8 32 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CF1D4BF380, 16 bytes long.
 Data: <&#208;2L &#207;           > D0 32 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CF1D4BF330, 16 bytes long.
 Data: <&#192;(L &#207;           > C0 28 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CF1D4C28C0, 40 bytes long.
 Data: <0&#243;K &#207;   0T' &#207;   > 30 F3 4B 1D CF 01 00 00 30 54 27 1F CF 01 00 00 
{263} normal block at 0x000001CF1D4BF150, 16 bytes long.
 Data: <&#176;2L &#207;           > B0 32 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CF1D4BE8E0, 16 bytes long.
 Data: < 2L &#207;           > 88 32 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CF1D4BDD60, 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 0x000001CF1D4BEDE0, 16 bytes long.
 Data: <`2L &#207;           > 60 32 4C 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CF1D4C3260, 992 bytes long.
 Data: <&#224;&#237;K &#207;   `&#221;K &#207;   > E0 ED 4B 1D CF 01 00 00 60 DD 4B 1D CF 01 00 00 
{95} normal block at 0x000001CF1D4BE2A0, 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 0x000001CF1D4BF060, 16 bytes long.
 Data: < &#193;C &#207;           > 80 C1 43 1D CF 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001CF1D43C180, 40 bytes long.
 Data: <`&#240;K &#207;   &#160;&#226;K &#207;   > 60 F0 4B 1D CF 01 00 00 A0 E2 4B 1D CF 01 00 00 
{72} normal block at 0x000001CF1D4BF010, 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 0x000001CF1D4BEE80, 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 0x000001CF1D4BE4D0, 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 0x000001CF1D4BE930, 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 0x000001CF1D4BEA20, 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 0x000001CF1D4BE7A0, 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 0x000001CF1D4BEBB0, 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 0x000001CF1D4BE570, 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 0x000001CF1D4BEB60, 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 0x000001CF1D4BE660, 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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