Task 38608503

Name tnks2_A04_A09_r0_3-QUICO_ATM_GAFF2_NAGL_TNKS2-2-6-RND1292_1
Workunit 31561789
Created 14 Apr 2026, 16:39:01 UTC
Sent 14 Apr 2026, 16:39:04 UTC
Report deadline 19 Apr 2026, 16:39:04 UTC
Received 14 Apr 2026, 16:41:44 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 41.26 MB
Peak swap size 30.52 MB
Peak disk usage 1.55 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>
11:39:54 (51224): wrapper (7.9.26016): starting
11:39:54 (51224): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A09_0.pdb
QB_A04_A09_0.xml
QB_A04_A09.inpcrd
QB_A04_A09_input.yaml
QB_A04_A09.pdb
QB_A04_A09.prmtop
QB_A04_A09_sys.xml
run.bat
run.sh
11:39:55 (51224): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:39:55 (51224): 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 0x00001060 (most recent call first):
  <no Python frame>
11:40:07 (51224): C:/Windows/system32/cmd.exe exited; CPU time 0.218750
11:40:07 (51224): app exit status: 0x16
11:40:07 (51224): 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: 502013 bytes.
Dumping objects ->
{3835620} normal block at 0x00000224C144ABC0, 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 0x00000224C1422630, 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 0x00000224C14224E0, 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 0x00000224C1422BE0, 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 0x00000224C1422940, 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 0x00000224C336B520, 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 0x00000224C337F630, 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 0x00000224C141EFC0, 8 bytes long.
 Data: <  &#250;&#194;$   > 00 00 FA C2 24 02 00 00 
{3834725} normal block at 0x00000224C337F8F0, 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 0x00000224C141E840, 8 bytes long.
 Data: < ^?&#195;$   > 80 5E 3F C3 24 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000224C1425040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000224C13A1FB0, 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 0x00000224C14237C0, 16 bytes long.
 Data: <&#168;3B&#193;$           > A8 33 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000224C1423590, 16 bytes long.
 Data: < 3B&#193;$           > 80 33 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000224C141E3F0, 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 0x00000224C1423810, 16 bytes long.
 Data: <X3B&#193;$           > 58 33 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000224C1423B30, 16 bytes long.
 Data: <03B&#193;$           > 30 33 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000224C1423770, 16 bytes long.
 Data: < 3B&#193;$           > 08 33 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000224C1424210, 16 bytes long.
 Data: <&#224;2B&#193;$           > E0 32 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000224C1422B70, 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 0x00000224C1423D60, 16 bytes long.
 Data: <&#184;-B&#193;$           > B8 2D 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000224C141DDF0, 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 0x00000224C14236D0, 16 bytes long.
 Data: < -B&#193;$           > 90 2D 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000224C1423AE0, 16 bytes long.
 Data: <h-B&#193;$           > 68 2D 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000224C1423DB0, 16 bytes long.
 Data: <@-B&#193;$           > 40 2D 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000224C1424300, 16 bytes long.
 Data: < -B&#193;$           > 18 2D 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000224C1423C70, 16 bytes long.
 Data: <&#240;,B&#193;$           > F0 2C 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000224C1423A90, 16 bytes long.
 Data: <&#200;,B&#193;$           > C8 2C 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000224C141DD90, 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 0x00000224C1423680, 16 bytes long.
 Data: <&#160;,B&#193;$           > A0 2C 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000224C1422CA0, 320 bytes long.
 Data: < 6B&#193;$    &#221;A&#193;$   > 80 36 42 C1 24 02 00 00 90 DD 41 C1 24 02 00 00 
{277} normal block at 0x00000224C14239F0, 16 bytes long.
 Data: <&#192;2B&#193;$           > C0 32 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000224C1423EF0, 16 bytes long.
 Data: < 2B&#193;$           > 98 32 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000224C141E1B0, 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 0x00000224C14234F0, 16 bytes long.
 Data: <p2B&#193;$           > 70 32 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000224C141DBB0, 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 0x00000224C1423C20, 16 bytes long.
 Data: <&#184;1B&#193;$           > B8 31 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000224C14243F0, 16 bytes long.
 Data: < 1B&#193;$           > 90 31 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000224C14239A0, 16 bytes long.
 Data: <h1B&#193;$           > 68 31 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000224C141EC00, 16 bytes long.
 Data: <@1B&#193;$           > 40 31 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000224C141E930, 16 bytes long.
 Data: < 1B&#193;$           > 18 31 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000224C141E7F0, 16 bytes long.
 Data: <&#240;0B&#193;$           > F0 30 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000224C141E750, 16 bytes long.
 Data: <&#176;)B&#193;$           > B0 29 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000224C14229B0, 40 bytes long.
 Data: <P&#231;A&#193;$    &#181;6&#195;$   > 50 E7 41 C1 24 02 00 00 20 B5 36 C3 24 02 00 00 
{263} normal block at 0x00000224C141E660, 16 bytes long.
 Data: <&#208;0B&#193;$           > D0 30 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000224C141F510, 16 bytes long.
 Data: <&#168;0B&#193;$           > A8 30 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000224C141E270, 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 0x00000224C141E700, 16 bytes long.
 Data: < 0B&#193;$           > 80 30 42 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000224C1423080, 992 bytes long.
 Data: < &#231;A&#193;$   p&#226;A&#193;$   > 00 E7 41 C1 24 02 00 00 70 E2 41 C1 24 02 00 00 
{95} normal block at 0x00000224C141DAF0, 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 0x00000224C141E980, 16 bytes long.
 Data: <&#208;&#210;9&#193;$           > D0 D2 39 C1 24 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000224C139D2D0, 40 bytes long.
 Data: < &#233;A&#193;$   &#240;&#218;A&#193;$   > 80 E9 41 C1 24 02 00 00 F0 DA 41 C1 24 02 00 00 
{72} normal block at 0x00000224C141EED0, 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 0x00000224C141ECF0, 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 0x00000224C141F0B0, 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 0x00000224C141F470, 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 0x00000224C141F150, 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 0x00000224C141F060, 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 0x00000224C141F100, 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 0x00000224C141EF70, 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 0x00000224C141F290, 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 0x00000224C141EDE0, 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>
]]>


©2026 Universitat Pompeu Fabra