Task 38606988
| Name | MCL1_A24_A29_r0_3-QUICO_ATM_OpenFF_MCL1-0-6-RND3962_1 |
| Workunit | 31560362 |
| Created | 14 Apr 2026, 8:25:16 UTC |
| Sent | 14 Apr 2026, 8:26:24 UTC |
| Report deadline | 19 Apr 2026, 8:26:24 UTC |
| Received | 14 Apr 2026, 8:34:04 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 641073 |
| Run time | 2 min 25 sec |
| CPU time | 14 sec |
| 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 | 51.06 MB |
| Peak swap size | 37.32 MB |
| Peak disk usage | 1.52 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>
03:31:27 (21696): wrapper (7.9.26016): starting
03:31:27 (21696): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A29_0.pdb
QB_A24_A29_0.xml
QB_A24_A29.inpcrd
QB_A24_A29_input.yaml
QB_A24_A29.pdb
QB_A24_A29.prmtop
QB_A24_A29_sys.xml
run.bat
run.sh
03:31:30 (21696): Library/usr/bin/tar.exe exited; CPU time 0.031250
03:31:30 (21696): 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 0x00008a28 (most recent call first):
<no Python frame>
03:32:27 (21696): C:/Windows/system32/cmd.exe exited; CPU time 14.312500
03:32:27 (21696): app exit status: 0x16
03:32:27 (21696): 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: 1104317 bytes.
Dumping objects ->
{3835620} normal block at 0x0000029BD2857020, 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 0x0000029BD0A22860, 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 0x0000029BD0A22780, 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 0x0000029BD0A22710, 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 0x0000029BD0A225C0, 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 0x0000029BD27FA370, 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 0x0000029BD280FB00, 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 0x0000029BD0A1EA50, 8 bytes long.
Data: < ðЛ > 00 00 F0 D0 9B 02 00 00
{3834725} normal block at 0x0000029BD2810080, 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 0x0000029BD0A1F0E0, 8 bytes long.
Data: <ðZ…Ò› > F0 5A 85 D2 9B 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000029BD0A25B60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029BD09A1E10, 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 0x0000029BD0A23980, 16 bytes long.
Data: < 6¢Ð› > 08 36 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029BD0A23B10, 16 bytes long.
Data: <à5¢Ð› > E0 35 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029BD0A1D900, 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 0x0000029BD0A23AC0, 16 bytes long.
Data: <¸5¢Ð› > B8 35 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029BD0A24290, 16 bytes long.
Data: < 5¢Ð› > 90 35 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029BD0A23E30, 16 bytes long.
Data: <h5¢Ð› > 68 35 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029BD0A23890, 16 bytes long.
Data: <@5¢Ð› > 40 35 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029BD0A22940, 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 0x0000029BD0A23A70, 16 bytes long.
Data: <H-¢Ð› > 48 2D A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029BD0A1E1A0, 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 0x0000029BD0A23CA0, 16 bytes long.
Data: < -¢Ð› > 20 2D A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029BD0A240B0, 16 bytes long.
Data: <ø,¢Ð› > F8 2C A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029BD0A243D0, 16 bytes long.
Data: <Ð,¢Ð› > D0 2C A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029BD0A23CF0, 16 bytes long.
Data: <¨,¢Ð› > A8 2C A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029BD0A239D0, 16 bytes long.
Data: < ,¢Ð› > 80 2C A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029BD0A237A0, 16 bytes long.
Data: <X,¢Ð› > 58 2C A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029BD0A1D660, 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 0x0000029BD0A23A20, 16 bytes long.
Data: <0,¢Ð› > 30 2C A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029BD0A22C30, 320 bytes long.
Data: < :¢Ð› `֡Л > 20 3A A2 D0 9B 02 00 00 60 D6 A1 D0 9B 02 00 00
{277} normal block at 0x0000029BD0A24060, 16 bytes long.
Data: < 5¢Ð› > 20 35 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029BD0A23750, 16 bytes long.
Data: <ø4¢Ð› > F8 34 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029BD0A1DEA0, 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 0x0000029BD0A24420, 16 bytes long.
Data: <Ð4¢Ð› > D0 34 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029BD0A1DE40, 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 0x0000029BD0A23840, 16 bytes long.
Data: < 4¢Ð› > 18 34 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029BD0A241F0, 16 bytes long.
Data: <ð3¢Ð› > F0 33 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029BD0A241A0, 16 bytes long.
Data: <È3¢Ð› > C8 33 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029BD0A1EB40, 16 bytes long.
Data: < 3¢Ð› > A0 33 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029BD0A1EFA0, 16 bytes long.
Data: <x3¢Ð› > 78 33 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029BD0A1EEB0, 16 bytes long.
Data: <P3¢Ð› > 50 33 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029BD0A1EAA0, 16 bytes long.
Data: <ð'¢Ð› > F0 27 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029BD0A227F0, 40 bytes long.
Data: < ê¡Ð› p£ Ò› > A0 EA A1 D0 9B 02 00 00 70 A3 7F D2 9B 02 00 00
{263} normal block at 0x0000029BD0A1EA00, 16 bytes long.
Data: <03¢Ð› > 30 33 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029BD0A1E730, 16 bytes long.
Data: < 3¢Ð› > 08 33 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029BD0A1E0E0, 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 0x0000029BD0A1EE60, 16 bytes long.
Data: <à2¢Ð› > E0 32 A2 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029BD0A232E0, 992 bytes long.
Data: <`î¡Ð› àà¡Ð› > 60 EE A1 D0 9B 02 00 00 E0 E0 A1 D0 9B 02 00 00
{95} normal block at 0x0000029BD0A1DD20, 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 0x0000029BD0A1F3B0, 16 bytes long.
Data: < Á Л > 10 C1 99 D0 9B 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000029BD099C110, 40 bytes long.
Data: <°ó¡Ð› ݡЛ > B0 F3 A1 D0 9B 02 00 00 20 DD A1 D0 9B 02 00 00
{72} normal block at 0x0000029BD0A1E690, 16 bytes long.
Data: < êêžö > 80 EA EA 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029BD0A1E870, 16 bytes long.
Data: <@éêžö > 40 E9 EA 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029BD0A1EFF0, 16 bytes long.
Data: <øWçžö > F8 57 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029BD0A1EF00, 16 bytes long.
Data: <ØWçžö > D8 57 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029BD0A1F270, 16 bytes long.
Data: <P çžö > 50 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029BD0A1F360, 16 bytes long.
Data: <0 çžö > 30 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029BD0A1F130, 16 bytes long.
Data: <à çžö > E0 02 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029BD0A1F040, 16 bytes long.
Data: < çžö > 10 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029BD0A1EC80, 16 bytes long.
Data: <p çžö > 70 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029BD0A1F1D0, 16 bytes long.
Data: < Àåžö > 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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