Task 38608511
| Name | MCL1_A15_A23_r0_2-QUICO_ATM_OpenFF_MCL1-1-6-RND6100_0 |
| Workunit | 31561801 |
| Created | 14 Apr 2026, 16:41:43 UTC |
| Sent | 14 Apr 2026, 16:41:44 UTC |
| Report deadline | 19 Apr 2026, 16:41:44 UTC |
| Received | 14 Apr 2026, 16:47:47 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 641073 |
| Run time | 59 sec |
| CPU time | 1 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 | 45.43 MB |
| Peak swap size | 33.02 MB |
| Peak disk usage | 1.54 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>
11:42:33 (23600): wrapper (7.9.26016): starting
11:42:33 (23600): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A23_0.pdb
QB_A15_A23_0.xml
QB_A15_A23.inpcrd
QB_A15_A23_input.yaml
QB_A15_A23.pdb
QB_A15_A23.prmtop
QB_A15_A23_sys.xml
run.bat
run.sh
11:42:34 (23600): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:42:34 (23600): 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 0x000089e4 (most recent call first):
<no Python frame>
11:42:48 (23600): C:/Windows/system32/cmd.exe exited; CPU time 1.031250
11:42:48 (23600): app exit status: 0x16
11:42:48 (23600): 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: 500329 bytes.
Dumping objects ->
{3835620} normal block at 0x0000016F23A2D2C0, 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 0x0000016F23A049A0, 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 0x0000016F23A045B0, 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 0x0000016F23A044D0, 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 0x0000016F23A047E0, 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 0x0000016F256FDC20, 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 0x0000016F25711B00, 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 0x0000016F239FFF30, 8 bytes long.
Data: < ì#o > 00 00 EC 23 6F 01 00 00
{3834725} normal block at 0x0000016F25711D10, 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 0x0000016F239FFBC0, 8 bytes long.
Data: <ÀßY%o > C0 DF 59 25 6F 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000016F23A08330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000016F23982780, 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 0x0000016F23A05620, 16 bytes long.
Data: < S #o > 98 53 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016F23A057B0, 16 bytes long.
Data: <pS #o > 70 53 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000016F239FEA70, 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 0x0000016F23A05AD0, 16 bytes long.
Data: <HS #o > 48 53 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016F23A060C0, 16 bytes long.
Data: < S #o > 20 53 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000016F23A05DA0, 16 bytes long.
Data: <øR #o > F8 52 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016F23A05D50, 16 bytes long.
Data: <ÐR #o > D0 52 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016F23A04540, 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 0x0000016F23A05D00, 16 bytes long.
Data: <XàŸ#o > 58 E0 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016F239FEEF0, 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 0x0000016F23A05F80, 16 bytes long.
Data: <0àŸ#o > 30 E0 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016F23A059E0, 16 bytes long.
Data: < àŸ#o > 08 E0 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016F23A05800, 16 bytes long.
Data: <àߟ#o > E0 DF 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016F23A055D0, 16 bytes long.
Data: <¸ßŸ#o > B8 DF 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016F23A06070, 16 bytes long.
Data: < ߟ#o > 90 DF 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016F23A05BC0, 16 bytes long.
Data: <hߟ#o > 68 DF 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016F239FE8F0, 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 0x0000016F23A05990, 16 bytes long.
Data: <@ߟ#o > 40 DF 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016F239FDF40, 320 bytes long.
Data: < Y #o ðèŸ#o > 90 59 A0 23 6F 01 00 00 F0 E8 9F 23 6F 01 00 00
{277} normal block at 0x0000016F23A05670, 16 bytes long.
Data: <°R #o > B0 52 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016F23A06020, 16 bytes long.
Data: < R #o > 88 52 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016F239FE530, 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 0x0000016F23A05C60, 16 bytes long.
Data: <`R #o > 60 52 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016F239FEB90, 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 0x0000016F23A056C0, 16 bytes long.
Data: <¨Q #o > A8 51 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016F23A05C10, 16 bytes long.
Data: < Q #o > 80 51 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016F23A05CB0, 16 bytes long.
Data: <XQ #o > 58 51 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016F239FFF80, 16 bytes long.
Data: <0Q #o > 30 51 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016F239FFEE0, 16 bytes long.
Data: < Q #o > 08 51 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016F239FF940, 16 bytes long.
Data: <àP #o > E0 50 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016F239FF9E0, 16 bytes long.
Data: < G #o > 00 47 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016F23A04700, 40 bytes long.
Data: <àùŸ#o Üo%o > E0 F9 9F 23 6F 01 00 00 20 DC 6F 25 6F 01 00 00
{263} normal block at 0x0000016F239FF3F0, 16 bytes long.
Data: <ÀP #o > C0 50 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016F239FF3A0, 16 bytes long.
Data: < P #o > 98 50 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016F239FEC50, 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 0x0000016F239FF350, 16 bytes long.
Data: <pP #o > 70 50 A0 23 6F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016F23A05070, 992 bytes long.
Data: <PóŸ#o PìŸ#o > 50 F3 9F 23 6F 01 00 00 50 EC 9F 23 6F 01 00 00
{95} normal block at 0x0000016F239FE830, 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 0x0000016F239FF990, 16 bytes long.
Data: <ÐÞŸ#o > D0 DE 9F 23 6F 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000016F239FDED0, 40 bytes long.
Data: < ùŸ#o 0èŸ#o > 90 F9 9F 23 6F 01 00 00 30 E8 9F 23 6F 01 00 00
{72} normal block at 0x0000016F239FF120, 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 0x0000016F239FF260, 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 0x0000016F239FFE40, 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 0x0000016F239FF850, 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 0x0000016F239FF800, 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 0x0000016F239FFB20, 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 0x0000016F239FFAD0, 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 0x0000016F239FF4E0, 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 0x0000016F23A00070, 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 0x0000016F239FFDF0, 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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