Task 38602657
| Name | MCL1_A28_A25_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-4-6-RND0786_2 |
| Workunit | 31555892 |
| Created | 10 Apr 2026, 5:02:19 UTC |
| Sent | 10 Apr 2026, 5:02:32 UTC |
| Report deadline | 15 Apr 2026, 5:02:32 UTC |
| Received | 10 Apr 2026, 5:06:22 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 646363 |
| Run time | 1 min 47 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,614.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.87 MB |
| Peak swap size | 36.18 MB |
| Peak disk usage | 1.44 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:04:13 (36004): wrapper (7.9.26016): starting
06:04:13 (36004): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A25_0.pdb
QB_A28_A25_0.xml
QB_A28_A25.inpcrd
QB_A28_A25_input.yaml
QB_A28_A25.pdb
QB_A28_A25.prmtop
QB_A28_A25_sys.xml
run.bat
run.sh
06:04:15 (36004): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:04:15 (36004): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\5\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 'D:\ProgramData\BOINC\slots\5\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.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "D:\ProgramData\BOINC\slots\5\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\rbfe_production.py", line 10, in rbfe_production
from atom_openmm.openmm_async_re import openmm_job_RBFE
File "D:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
import openmm as mm
File "D:\ProgramData\BOINC\slots\5\Lib\site-packages\openmm\__init__.py", line 24, in <module>
from openmm.openmm import *
File "D:\ProgramData\BOINC\slots\5\Lib\site-packages\openmm\openmm.py", line 10, in <module>
from . import _openmm
ImportError: DLL load failed while importing _openmm: The specified module could not be found.
06:04:37 (36004): C:/Windows/system32/cmd.exe exited; CPU time 0.453125
06:04:37 (36004): app exit status: 0x16
06:04:37 (36004): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 936475 bytes.
Dumping objects ->
{3835454} normal block at 0x000001F1D3DA78A0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835443} normal block at 0x000001F1D3DA7750, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835432} normal block at 0x000001F1D3DA76E0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835421} normal block at 0x000001F1D3DA7830, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835410} normal block at 0x000001F1D3DA7520, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835379} normal block at 0x000001F1D591D3A0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835366} normal block at 0x000001F1D3D9E010, 8 bytes long.
Data: < ÖÓñ > 00 00 D6 D3 F1 01 00 00
{3833945} normal block at 0x000001F1D3D9E790, 8 bytes long.
Data: <0•—Õñ > 30 95 97 D5 F1 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F1D3D960D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F1D3D94630, 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 0x000001F1D3DA9B00, 16 bytes long.
Data: <è£ÚÓñ > E8 A3 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F1D3DA9A60, 16 bytes long.
Data: <À£ÚÓñ > C0 A3 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F1D3DA48D0, 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 0x000001F1D3DA9A10, 16 bytes long.
Data: < £ÚÓñ > 98 A3 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F1D3DA99C0, 16 bytes long.
Data: <p£ÚÓñ > 70 A3 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F1D3DA9970, 16 bytes long.
Data: <H£ÚÓñ > 48 A3 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F1D3DA96A0, 16 bytes long.
Data: < £ÚÓñ > 20 A3 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F1D3DA7AD0, 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 0x000001F1D3DA9920, 16 bytes long.
Data: < /ÙÓñ > 88 2F D9 D3 F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F1D3DA5290, 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 0x000001F1D3DA95B0, 16 bytes long.
Data: <`/ÙÓñ > 60 2F D9 D3 F1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F1D3DA9560, 16 bytes long.
Data: <8/ÙÓñ > 38 2F D9 D3 F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F1D3DA98D0, 16 bytes long.
Data: < /ÙÓñ > 10 2F D9 D3 F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F1D3DA9380, 16 bytes long.
Data: <è.ÙÓñ > E8 2E D9 D3 F1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F1D3DA9330, 16 bytes long.
Data: <À.ÙÓñ > C0 2E D9 D3 F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F1D3DA9510, 16 bytes long.
Data: < .ÙÓñ > 98 2E D9 D3 F1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F1D3DA4DB0, 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 0x000001F1D3DA9830, 16 bytes long.
Data: <p.ÙÓñ > 70 2E D9 D3 F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F1D3D92E70, 320 bytes long.
Data: <0 ÚÓñ °MÚÓñ > 30 98 DA D3 F1 01 00 00 B0 4D DA D3 F1 01 00 00
{268} normal block at 0x000001F1D3DA9290, 16 bytes long.
Data: < £ÚÓñ > 00 A3 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F1D3DA92E0, 16 bytes long.
Data: <Ø¢ÚÓñ > D8 A2 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F1D3DA4C30, 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 0x000001F1D3DA9790, 16 bytes long.
Data: <°¢ÚÓñ > B0 A2 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F1D3DA5350, 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 0x000001F1D3DA94C0, 16 bytes long.
Data: <ø¡ÚÓñ > F8 A1 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F1D3DA9240, 16 bytes long.
Data: <СÚÓñ > D0 A1 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F1D3DA9740, 16 bytes long.
Data: <¨¡ÚÓñ > A8 A1 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F1D3DA9BA0, 16 bytes long.
Data: < ¡ÚÓñ > 80 A1 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F1D3DA9C40, 16 bytes long.
Data: <X¡ÚÓñ > 58 A1 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F1D3DA9650, 16 bytes long.
Data: <0¡ÚÓñ > 30 A1 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F1D3DA91A0, 16 bytes long.
Data: < yÚÓñ > 80 79 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F1D3DA7980, 40 bytes long.
Data: < ‘ÚÓñ  Ó‘Õñ > A0 91 DA D3 F1 01 00 00 A0 D3 91 D5 F1 01 00 00
{254} normal block at 0x000001F1D3DA9420, 16 bytes long.
Data: < ¡ÚÓñ > 10 A1 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F1D3DA9150, 16 bytes long.
Data: <è ÚÓñ > E8 A0 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F1D3DA4870, 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 0x000001F1D3DA9100, 16 bytes long.
Data: <À ÚÓñ > C0 A0 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001F1D3DAA0C0, 992 bytes long.
Data: < ‘ÚÓñ pHÚÓñ > 00 91 DA D3 F1 01 00 00 70 48 DA D3 F1 01 00 00
{86} normal block at 0x000001F1D3DA4630, 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 0x000001F1D3D9E740, 16 bytes long.
Data: < uÚÓñ > 90 75 DA D3 F1 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001F1D3DA7590, 40 bytes long.
Data: <@çÙÓñ 0FÚÓñ > 40 E7 D9 D3 F1 01 00 00 30 46 DA D3 F1 01 00 00
{63} normal block at 0x000001F1D3D9DED0, 16 bytes long.
Data: < êÂç÷ > 80 EA C2 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F1D3D9E560, 16 bytes long.
Data: <@éÂç÷ > 40 E9 C2 E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F1D3D9E6A0, 16 bytes long.
Data: <øW¿ç÷ > F8 57 BF E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F1D3D9DC50, 16 bytes long.
Data: <ØW¿ç÷ > D8 57 BF E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F1D3D9DE80, 16 bytes long.
Data: <P ¿ç÷ > 50 04 BF E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F1D3D9DBB0, 16 bytes long.
Data: <0 ¿ç÷ > 30 04 BF E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F1D3D9E830, 16 bytes long.
Data: <à ¿ç÷ > E0 02 BF E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F1D3D9E3D0, 16 bytes long.
Data: < ¿ç÷ > 10 04 BF E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F1D3D9DFC0, 16 bytes long.
Data: <p ¿ç÷ > 70 04 BF E7 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001F1D3D9E100, 16 bytes long.
Data: < À½ç÷ > 18 C0 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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