Task 38598572

Name MCL1_A02_A14_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-1-6-RND8640_0
Workunit 31553707
Created 8 Apr 2026, 10:25:47 UTC
Sent 8 Apr 2026, 10:25:52 UTC
Report deadline 13 Apr 2026, 10:25:52 UTC
Received 8 Apr 2026, 10:30:28 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 25 sec
CPU time 8 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 8,885.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 48.41 MB
Peak swap size 34.07 MB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:27:59 (11640): wrapper (7.9.26016): starting
05:27:59 (11640): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A14_0.pdb
QB_A02_A14_0.xml
QB_A02_A14.inpcrd
QB_A02_A14_input.yaml
QB_A02_A14.pdb
QB_A02_A14.prmtop
QB_A02_A14_sys.xml
run.bat
run.sh
05:28:01 (11640): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:28:01 (11640): 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\1\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\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\1\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\1\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\1\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\1\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\1\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\1\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\1\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\1\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\1\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\1',
  ]
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 0x0000498c (most recent call first):
  <no Python frame>
05:28:43 (11640): C:/Windows/system32/cmd.exe exited; CPU time 8.390625
05:28:43 (11640): app exit status: 0x16
05:28:43 (11640): 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: 960523 bytes.
Dumping objects ->
{3835553} normal block at 0x0000017749A82090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x0000017749A81BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000017749A82020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835520} normal block at 0x0000017747BE2C10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835509} normal block at 0x0000017747BE2AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835478} normal block at 0x0000017749AD7E30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x0000017749AEFE60, 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) : {3835464} normal block at 0x0000017747BE46A0, 8 bytes long.
 Data: <  |Iw   > 00 00 7C 49 77 01 00 00 
{3834689} normal block at 0x0000017749AEF410, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000017747BE3AC0, 8 bytes long.
 Data: <p&#182;&#174;Iw   > 70 B6 AE 49 77 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000017747BE5B10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017747B62470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000017747BE4010, 16 bytes long.
 Data: <88&#190;Gw           > 38 38 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017747BE4600, 16 bytes long.
 Data: < 8&#190;Gw           > 10 38 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017747BDE200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000017747BE4830, 16 bytes long.
 Data: <&#232;7&#190;Gw           > E8 37 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017747BE3CA0, 16 bytes long.
 Data: <&#192;7&#190;Gw           > C0 37 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017747BE4650, 16 bytes long.
 Data: < 7&#190;Gw           > 98 37 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017747BDFCF0, 16 bytes long.
 Data: <p7&#190;Gw           > 70 37 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017747BE2CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000017747BDF7A0, 16 bytes long.
 Data: <H2&#190;Gw           > 48 32 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017747BDE1A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000017747BDFC00, 16 bytes long.
 Data: < 2&#190;Gw           > 20 32 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017747BDF750, 16 bytes long.
 Data: <&#248;1&#190;Gw           > F8 31 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017747BDF6B0, 16 bytes long.
 Data: <&#208;1&#190;Gw           > D0 31 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017747BDF660, 16 bytes long.
 Data: <&#168;1&#190;Gw           > A8 31 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017747BDF610, 16 bytes long.
 Data: < 1&#190;Gw           > 80 31 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017747BDF200, 16 bytes long.
 Data: <X1&#190;Gw           > 58 31 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017747BDE020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000017747BDF980, 16 bytes long.
 Data: <01&#190;Gw           > 30 31 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017747BE3130, 320 bytes long.
 Data: < &#249;&#189;Gw    &#224;&#189;Gw   > 80 F9 BD 47 77 01 00 00 20 E0 BD 47 77 01 00 00 
{274} normal block at 0x0000017747BDF070, 16 bytes long.
 Data: <P7&#190;Gw           > 50 37 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017747BDFBB0, 16 bytes long.
 Data: <(7&#190;Gw           > 28 37 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017747BDE5C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000017747BDF340, 16 bytes long.
 Data: < 7&#190;Gw           > 00 37 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017747BDD9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000017747BDF700, 16 bytes long.
 Data: <H6&#190;Gw           > 48 36 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017747BDF570, 16 bytes long.
 Data: < 6&#190;Gw           > 20 36 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017747BDF480, 16 bytes long.
 Data: <&#248;5&#190;Gw           > F8 35 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017747BDF3E0, 16 bytes long.
 Data: <&#208;5&#190;Gw           > D0 35 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017747BDF0C0, 16 bytes long.
 Data: <&#168;5&#190;Gw           > A8 35 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017747BDF020, 16 bytes long.
 Data: < 5&#190;Gw           > 80 35 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017747BDF930, 16 bytes long.
 Data: < ,&#190;Gw           > 80 2C BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017747BE2C80, 40 bytes long.
 Data: <0&#249;&#189;Gw   0~&#173;Iw   > 30 F9 BD 47 77 01 00 00 30 7E AD 49 77 01 00 00 
{260} normal block at 0x0000017747BDF160, 16 bytes long.
 Data: <`5&#190;Gw           > 60 35 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017747BDF390, 16 bytes long.
 Data: <85&#190;Gw           > 38 35 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017747BDDC00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000017747BDF430, 16 bytes long.
 Data: < 5&#190;Gw           > 10 35 BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017747BE3510, 992 bytes long.
 Data: <0&#244;&#189;Gw    &#220;&#189;Gw   > 30 F4 BD 47 77 01 00 00 00 DC BD 47 77 01 00 00 
{92} normal block at 0x0000017747BDE560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000017747BDEEE0, 16 bytes long.
 Data: <&#176;.&#190;Gw           > B0 2E BE 47 77 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000017747BE2EB0, 40 bytes long.
 Data: <&#224;&#238;&#189;Gw   `&#229;&#189;Gw   > E0 EE BD 47 77 01 00 00 60 E5 BD 47 77 01 00 00 
{69} normal block at 0x0000017747BDEF30, 16 bytes long.
 Data: < &#234;&#232; &#246;           > 80 EA E8 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017747BDFB10, 16 bytes long.
 Data: <@&#233;&#232; &#246;           > 40 E9 E8 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017747BDFC50, 16 bytes long.
 Data: <&#248;W&#229; &#246;           > F8 57 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017747BDFA20, 16 bytes long.
 Data: <&#216;W&#229; &#246;           > D8 57 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017747BDFAC0, 16 bytes long.
 Data: <P &#229; &#246;           > 50 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017747BDF9D0, 16 bytes long.
 Data: <0 &#229; &#246;           > 30 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017747BDEDF0, 16 bytes long.
 Data: <&#224; &#229; &#246;           > E0 02 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017747BDF5C0, 16 bytes long.
 Data: <  &#229; &#246;           > 10 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017747BA3BC0, 16 bytes long.
 Data: <p &#229; &#246;           > 70 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017747BA3B70, 16 bytes long.
 Data: < &#192;&#227; &#246;           > 18 C0 E3 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra