Task 38601759
| Name | MCL1_A02_A25_r0_2-QUICO_ATM_GAFF2_NAGL_MCL1-5-6-RND0749_0 |
| Workunit | 31556270 |
| Created | 9 Apr 2026, 17:19:48 UTC |
| Sent | 9 Apr 2026, 17:19:56 UTC |
| Report deadline | 14 Apr 2026, 17:19:56 UTC |
| Received | 9 Apr 2026, 17:23:20 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 642172 |
| Run time | 1 min 48 sec |
| CPU time | 3 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 | 42.77 MB |
| Peak swap size | 31.14 MB |
| Peak disk usage | 3.46 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>
12:21:34 (6812): wrapper (7.9.26016): starting
12:21:34 (6812): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A25_0.pdb
QB_A02_A25_0.xml
QB_A02_A25.inpcrd
QB_A02_A25_input.yaml
QB_A02_A25.pdb
QB_A02_A25.prmtop
QB_A02_A25_sys.xml
run.bat
run.sh
12:21:35 (6812): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:21:35 (6812): 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 0x00000e4c (most recent call first):
<no Python frame>
12:22:03 (6812): C:/Windows/system32/cmd.exe exited; CPU time 3.875000
12:22:03 (6812): app exit status: 0x16
12:22:03 (6812): 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: 613647 bytes.
Dumping objects ->
{3835553} normal block at 0x000001F90A240850, 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 0x000001F90A2410A0, 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 0x000001F90A240EE0, 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 0x000001F9083F2950, 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 0x000001F9083F2870, 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 0x000001F90A1699A0, 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 0x000001F90A17FD10, 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 0x000001F9083F4280, 8 bytes long.
Data: < ù > 00 00 81 08 F9 01 00 00
{3834689} normal block at 0x000001F90A17FC60, 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 0x000001F9083F4640, 8 bytes long.
Data: <ÀS ù > C0 53 1F 0A F9 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F9083F56F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F9083722C0, 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 0x000001F9083F45F0, 16 bytes long.
Data: <X:? ù > 58 3A 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F9083F4230, 16 bytes long.
Data: <0:? ù > 30 3A 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F9083ED900, 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 0x000001F9083F4500, 16 bytes long.
Data: < :? ù > 08 3A 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F9083F45A0, 16 bytes long.
Data: <à9? ù > E0 39 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F9083F3C40, 16 bytes long.
Data: <¸9? ù > B8 39 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F9083EF9D0, 16 bytes long.
Data: < 9? ù > 90 39 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F9083F2AA0, 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 0x000001F9083EF7F0, 16 bytes long.
Data: <h4? ù > 68 34 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F9083EE440, 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 0x000001F9083EF750, 16 bytes long.
Data: <@4? ù > 40 34 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F9083EF110, 16 bytes long.
Data: < 4? ù > 18 34 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F9083EF520, 16 bytes long.
Data: <ð3? ù > F0 33 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F9083EFB10, 16 bytes long.
Data: <È3? ù > C8 33 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F9083EF020, 16 bytes long.
Data: < 3? ù > A0 33 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F9083EEF80, 16 bytes long.
Data: <x3? ù > 78 33 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F9083ED7E0, 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 0x000001F9083EF6B0, 16 bytes long.
Data: <P3? ù > 50 33 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F9083F3350, 320 bytes long.
Data: <°ö> ù à×> ù > B0 F6 3E 08 F9 01 00 00 E0 D7 3E 08 F9 01 00 00
{274} normal block at 0x000001F9083EF700, 16 bytes long.
Data: <p9? ù > 70 39 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F9083EF3E0, 16 bytes long.
Data: <H9? ù > 48 39 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F9083EDB40, 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 0x000001F9083EED50, 16 bytes long.
Data: < 9? ù > 20 39 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F9083EE2C0, 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 0x000001F9083EF660, 16 bytes long.
Data: <h8? ù > 68 38 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F9083EF4D0, 16 bytes long.
Data: <@8? ù > 40 38 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F9083EF2A0, 16 bytes long.
Data: < 8? ù > 18 38 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F9083EEDF0, 16 bytes long.
Data: <ð7? ù > F0 37 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F9083EEC10, 16 bytes long.
Data: <È7? ù > C8 37 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F9083EF480, 16 bytes long.
Data: < 7? ù > A0 37 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F9083EFA20, 16 bytes long.
Data: <ð+? ù > F0 2B 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F9083F2BF0, 40 bytes long.
Data: < ú> ù   ù > 20 FA 3E 08 F9 01 00 00 A0 99 16 0A F9 01 00 00
{260} normal block at 0x000001F9083EF890, 16 bytes long.
Data: < 7? ù > 80 37 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F9083EF430, 16 bytes long.
Data: <X7? ù > 58 37 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F9083ED780, 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 0x000001F9083EFA70, 16 bytes long.
Data: <07? ù > 30 37 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F9083F3730, 992 bytes long.
Data: <pú> ù ×> ù > 70 FA 3E 08 F9 01 00 00 80 D7 3E 08 F9 01 00 00
{92} normal block at 0x000001F9083ED8A0, 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 0x000001F9083EEE40, 16 bytes long.
Data: < '? ù > 90 27 3F 08 F9 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F9083F2790, 40 bytes long.
Data: <@î> ù  Ø> ù > 40 EE 3E 08 F9 01 00 00 A0 D8 3E 08 F9 01 00 00
{69} normal block at 0x000001F9083EFB60, 16 bytes long.
Data: < êÜ ö > 80 EA DC 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F9083EF390, 16 bytes long.
Data: <@éÜ ö > 40 E9 DC 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F9083EF840, 16 bytes long.
Data: <øWÙ ö > F8 57 D9 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F9083EEDA0, 16 bytes long.
Data: <ØWÙ ö > D8 57 D9 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F9083EF0C0, 16 bytes long.
Data: <P Ù ö > 50 04 D9 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F9083EEEE0, 16 bytes long.
Data: <0 Ù ö > 30 04 D9 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F9083EED00, 16 bytes long.
Data: <à Ù ö > E0 02 D9 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F9083EEC60, 16 bytes long.
Data: < Ù ö > 10 04 D9 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F9083B3B30, 16 bytes long.
Data: <p Ù ö > 70 04 D9 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F9083B3A90, 16 bytes long.
Data: < À× ö > 18 C0 D7 06 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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