Task 38640979
| Name | tnks2_A19_A17_r0_3-QUICO_ATM_OpenFF23_NAGL_tnks2-4-6-RND3585_3 |
| Workunit | 31586772 |
| Created | 2 May 2026, 2:57:31 UTC |
| Sent | 2 May 2026, 2:57:32 UTC |
| Report deadline | 7 May 2026, 2:57:32 UTC |
| Received | 2 May 2026, 3:01:14 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 27 sec |
| CPU time | 9 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 | 59.13 MB |
| Peak swap size | 42.88 MB |
| Peak disk usage | 4.05 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>
21:58:53 (41636): wrapper (7.9.26016): starting
21:58:53 (41636): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A17_0.pdb
QB_A19_A17_0.xml
QB_A19_A17.inpcrd
QB_A19_A17_input.yaml
QB_A19_A17.pdb
QB_A19_A17.prmtop
QB_A19_A17_sys.xml
run.bat
run.sh
21:58:54 (41636): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:58:54 (41636): 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 0x00008290 (most recent call first):
<no Python frame>
21:59:24 (41636): C:/Windows/system32/cmd.exe exited; CPU time 9.578125
21:59:24 (41636): app exit status: 0x16
21:59:24 (41636): 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: 842617 bytes.
Dumping objects ->
{3835597} normal block at 0x0000017132B994D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835586} normal block at 0x0000017132B99770, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835575} normal block at 0x0000017132B998C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835564} normal block at 0x0000017130E8E900, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835553} normal block at 0x0000017130E8E740, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835522} normal block at 0x00000171329EC340, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835511} normal block at 0x0000017130EC7040, 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) : {3835508} normal block at 0x0000017130E924A0, 8 bytes long.
Data: < ÿ2q > 00 00 FF 32 71 01 00 00
{3834707} normal block at 0x0000017130EC6D80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x0000017130E91B40, 8 bytes long.
Data: <P‚ì0q > 50 82 EC 30 71 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000017130E92DD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017130E123E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000017130E91BE0, 16 bytes long.
Data: <ø é0q > F8 19 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017130E91DC0, 16 bytes long.
Data: <Ð é0q > D0 19 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017130E8A0F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000017130E91C30, 16 bytes long.
Data: <¨ é0q > A8 19 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017130E92A90, 16 bytes long.
Data: < é0q > 80 19 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017130E8D0F0, 16 bytes long.
Data: <X é0q > 58 19 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017130E8D4B0, 16 bytes long.
Data: <0 é0q > 30 19 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017130E8EA50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000017130E8D0A0, 16 bytes long.
Data: < é0q > 08 14 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017130E89610, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000017130E8D460, 16 bytes long.
Data: <à é0q > E0 13 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017130E8D280, 16 bytes long.
Data: <¸ é0q > B8 13 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017130E8DA00, 16 bytes long.
Data: < é0q > 90 13 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017130E8D6E0, 16 bytes long.
Data: <h é0q > 68 13 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017130E8D000, 16 bytes long.
Data: <@ é0q > 40 13 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017130E8DF00, 16 bytes long.
Data: < é0q > 18 13 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017130E89F70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000017130E8DB40, 16 bytes long.
Data: <ð é0q > F0 12 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017130E912F0, 320 bytes long.
Data: <@Ûè0q pŸè0q > 40 DB E8 30 71 01 00 00 70 9F E8 30 71 01 00 00
{268} normal block at 0x0000017130E8DDC0, 16 bytes long.
Data: < é0q > 10 19 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017130E8D230, 16 bytes long.
Data: <è é0q > E8 18 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017130E897F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000017130E8D960, 16 bytes long.
Data: <À é0q > C0 18 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017130E89670, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000017130E8DE60, 16 bytes long.
Data: < é0q > 08 18 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000017130E8DCD0, 16 bytes long.
Data: <à é0q > E0 17 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017130E8D910, 16 bytes long.
Data: <¸ é0q > B8 17 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017130E8D8C0, 16 bytes long.
Data: < é0q > 90 17 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000017130E8DC80, 16 bytes long.
Data: <h é0q > 68 17 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000017130E8DC30, 16 bytes long.
Data: <@ é0q > 40 17 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000017130E8D820, 16 bytes long.
Data: <`æè0q > 60 E6 E8 30 71 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000017130E8E660, 40 bytes long.
Data: < Øè0q @Þ2q > 20 D8 E8 30 71 01 00 00 40 C3 9E 32 71 01 00 00
{254} normal block at 0x0000017130E8DBE0, 16 bytes long.
Data: < é0q > 20 17 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000017130E8DAF0, 16 bytes long.
Data: <ø é0q > F8 16 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000017130E89AF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000017130E8D730, 16 bytes long.
Data: <Ð é0q > D0 16 E9 30 71 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000017130E916D0, 992 bytes long.
Data: <0×è0q ðšè0q > 30 D7 E8 30 71 01 00 00 F0 9A E8 30 71 01 00 00
{86} normal block at 0x0000017130E896D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000017130E8D780, 16 bytes long.
Data: <°çè0q > B0 E7 E8 30 71 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000017130E8E7B0, 40 bytes long.
Data: < ×è0q Жè0q > 80 D7 E8 30 71 01 00 00 D0 96 E8 30 71 01 00 00
{63} normal block at 0x0000017130E8D190, 16 bytes long.
Data: < ê {÷ > 80 EA 99 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000017130E8D1E0, 16 bytes long.
Data: <@é {÷ > 40 E9 99 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000017130E8DD20, 16 bytes long.
Data: <øW–{÷ > F8 57 96 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000017130E8D9B0, 16 bytes long.
Data: <ØW–{÷ > D8 57 96 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000017130E8D050, 16 bytes long.
Data: <P –{÷ > 50 04 96 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000017130E8D320, 16 bytes long.
Data: <0 –{÷ > 30 04 96 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000017130E8D140, 16 bytes long.
Data: <à –{÷ > E0 02 96 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000017130E53680, 16 bytes long.
Data: < –{÷ > 10 04 96 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000017130E52D70, 16 bytes long.
Data: <p –{÷ > 70 04 96 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000017130E52AA0, 16 bytes long.
Data: < À”{÷ > 18 C0 94 7B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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