Task 38613354

Name JNK1_A03_A11_r0_1-QUICO_ATM_OpenFF_JNK1-5-6-RND5390_0
Workunit 31565849
Created 16 Apr 2026, 18:58:13 UTC
Sent 16 Apr 2026, 18:58:26 UTC
Report deadline 21 Apr 2026, 18:58:26 UTC
Received 16 Apr 2026, 19:04:49 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 36 sec
CPU time 5 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 58.59 MB
Peak swap size 42.00 MB
Peak disk usage 1.57 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>
14:02:43 (19168): wrapper (7.9.26016): starting
14:02:43 (19168): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A11_0.pdb
QB_A03_A11_0.xml
QB_A03_A11.inpcrd
QB_A03_A11_input.yaml
QB_A03_A11.pdb
QB_A03_A11.prmtop
QB_A03_A11_sys.xml
run.bat
run.sh
14:02:45 (19168): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:02:45 (19168): 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\0\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\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\0\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\0\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\0\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\0\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\0\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\0\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\0\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\0\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\0\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\0',
  ]
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 0x00003e68 (most recent call first):
  <no Python frame>
14:03:33 (19168): C:/Windows/system32/cmd.exe exited; CPU time 5.265625
14:03:33 (19168): app exit status: 0x16
14:03:33 (19168): 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: 1082765 bytes.
Dumping objects ->
{3835549} normal block at 0x000001C3C7543220, 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 0x000001C3C7543920, 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 0x000001C3C7543610, 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 0x000001C3C7543530, 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 0x000001C3C75438B0, 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 0x000001C3C937E030, 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 0x000001C3C9391C70, 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 0x000001C3C7544500, 8 bytes long.
 Data: <   &#201;&#195;   > 00 00 0B C9 C3 01 00 00 
{3834685} normal block at 0x000001C3C9391D20, 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 0x000001C3C7544690, 8 bytes long.
 Data: <`&#235;Z&#199;&#195;   > 60 EB 5A C7 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C3C75470D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C3C74C17B0, 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 0x000001C3C75446E0, 16 bytes long.
 Data: <&#184;>T&#199;&#195;           > B8 3E 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C3C7544230, 16 bytes long.
 Data: < >T&#199;&#195;           > 90 3E 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C3C753A1A0, 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 0x000001C3C75447D0, 16 bytes long.
 Data: <h>T&#199;&#195;           > 68 3E 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C3C7544B40, 16 bytes long.
 Data: <@>T&#199;&#195;           > 40 3E 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C3C7544D70, 16 bytes long.
 Data: < >T&#199;&#195;           > 18 3E 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C3C753DB90, 16 bytes long.
 Data: <&#240;=T&#199;&#195;           > F0 3D 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C3C75437D0, 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 0x000001C3C753DB40, 16 bytes long.
 Data: <&#184;0T&#199;&#195;           > B8 30 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C3C753A0E0, 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 0x000001C3C753D460, 16 bytes long.
 Data: < 0T&#199;&#195;           > 90 30 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C3C753DAA0, 16 bytes long.
 Data: <h0T&#199;&#195;           > 68 30 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C3C753D8C0, 16 bytes long.
 Data: <@0T&#199;&#195;           > 40 30 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C3C753E270, 16 bytes long.
 Data: < 0T&#199;&#195;           > 18 30 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C3C753D500, 16 bytes long.
 Data: <&#240;/T&#199;&#195;           > F0 2F 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C3C753DA00, 16 bytes long.
 Data: <&#200;/T&#199;&#195;           > C8 2F 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C3C753A260, 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 0x000001C3C753E090, 16 bytes long.
 Data: <&#160;/T&#199;&#195;           > A0 2F 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C3C7542FA0, 320 bytes long.
 Data: < &#224;S&#199;&#195;   `&#162;S&#199;&#195;   > 90 E0 53 C7 C3 01 00 00 60 A2 53 C7 C3 01 00 00 
{272} normal block at 0x000001C3C753DFA0, 16 bytes long.
 Data: <&#208;=T&#199;&#195;           > D0 3D 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C3C753D870, 16 bytes long.
 Data: <&#168;=T&#199;&#195;           > A8 3D 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C3C7539A80, 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 0x000001C3C753D6E0, 16 bytes long.
 Data: < =T&#199;&#195;           > 80 3D 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C3C753A020, 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 0x000001C3C753D820, 16 bytes long.
 Data: <&#200;<T&#199;&#195;           > C8 3C 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C3C753D7D0, 16 bytes long.
 Data: <&#160;<T&#199;&#195;           > A0 3C 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C3C753D780, 16 bytes long.
 Data: <x<T&#199;&#195;           > 78 3C 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C3C753D690, 16 bytes long.
 Data: <P<T&#199;&#195;           > 50 3C 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C3C753D5F0, 16 bytes long.
 Data: <(<T&#199;&#195;           > 28 3C 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C3C753D5A0, 16 bytes long.
 Data: < <T&#199;&#195;           > 00 3C 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C3C753D9B0, 16 bytes long.
 Data: <&#240;6T&#199;&#195;           > F0 36 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C3C75436F0, 40 bytes long.
 Data: <&#176;&#217;S&#199;&#195;   0&#224;7&#201;&#195;   > B0 D9 53 C7 C3 01 00 00 30 E0 37 C9 C3 01 00 00 
{258} normal block at 0x000001C3C753D730, 16 bytes long.
 Data: <&#224;;T&#199;&#195;           > E0 3B 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C3C753E3B0, 16 bytes long.
 Data: <&#184;;T&#199;&#195;           > B8 3B 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C3C753A320, 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 0x000001C3C753E0E0, 16 bytes long.
 Data: < ;T&#199;&#195;           > 90 3B 54 C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C3C7543B90, 992 bytes long.
 Data: <&#224;&#224;S&#199;&#195;    &#163;S&#199;&#195;   > E0 E0 53 C7 C3 01 00 00 20 A3 53 C7 C3 01 00 00 
{90} normal block at 0x000001C3C7539F00, 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 0x000001C3C753D4B0, 16 bytes long.
 Data: <  L&#199;&#195;           > 00 01 4C C7 C3 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001C3C74C0100, 40 bytes long.
 Data: <&#176;&#212;S&#199;&#195;    &#159;S&#199;&#195;   > B0 D4 53 C7 C3 01 00 00 00 9F 53 C7 C3 01 00 00 
{67} normal block at 0x000001C3C753E130, 16 bytes long.
 Data: < &#234;j&#199;&#246;           > 80 EA 6A C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C3C753D640, 16 bytes long.
 Data: <@&#233;j&#199;&#246;           > 40 E9 6A C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C3C753DD20, 16 bytes long.
 Data: <&#248;Wg&#199;&#246;           > F8 57 67 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C3C753DEB0, 16 bytes long.
 Data: <&#216;Wg&#199;&#246;           > D8 57 67 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C3C753DCD0, 16 bytes long.
 Data: <P g&#199;&#246;           > 50 04 67 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C3C753DE60, 16 bytes long.
 Data: <0 g&#199;&#246;           > 30 04 67 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C3C753DE10, 16 bytes long.
 Data: <&#224; g&#199;&#246;           > E0 02 67 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C3C753DA50, 16 bytes long.
 Data: <  g&#199;&#246;           > 10 04 67 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C3C7503A30, 16 bytes long.
 Data: <p g&#199;&#246;           > 70 04 67 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C3C7503940, 16 bytes long.
 Data: < &#192;e&#199;&#246;           > 18 C0 65 C7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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