Task 38617463

Name hif2a_2_A28_A15_r0_4-QUICO_ATM_OpenFF_NAGL_hif2a_2-2-6-RND0691_1
Workunit 31569112
Created 18 Apr 2026, 4:32:07 UTC
Sent 18 Apr 2026, 4:32:23 UTC
Report deadline 23 Apr 2026, 4:32:23 UTC
Received 18 Apr 2026, 5:01:27 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652087
Run time 55 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,950.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 48.43 MB
Peak swap size 36.00 MB
Peak disk usage 1.46 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>
05:58:57 (10112): wrapper (7.9.26016): starting
05:58:57 (10112): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A15_0.pdb
QB_A28_A15_0.xml
QB_A28_A15.inpcrd
QB_A28_A15_input.yaml
QB_A28_A15.pdb
QB_A28_A15.prmtop
QB_A28_A15_sys.xml
run.bat
run.sh
05:58:58 (10112): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:58:58 (10112): 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 'C:\ProgramData\BOINC\slots\0\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\0\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 10, in rbfe_production
    from atom_openmm.openmm_async_re import openmm_job_RBFE
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 11, in <module>
    from openmm.app import *
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\__init__.py", line 17, in <module>
    from .xtcfile import XTCFile
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\xtcfile.py", line 6, in <module>
    from openmm.app.internal.xtc_utils import (
ImportError: DLL load failed while importing xtc_utils: An Application Control policy has blocked this file.
05:59:11 (10112): C:/Windows/system32/cmd.exe exited; CPU time 2.437500
05:59:11 (10112): app exit status: 0x16
05:59:11 (10112): 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: 314977 bytes.
Dumping objects ->
{3835446} normal block at 0x0000017743EF7230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x0000017743EF72A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x0000017743EF71C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835413} normal block at 0x0000017743EF7000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835402} normal block at 0x0000017743EF6F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835371} normal block at 0x0000017745BA4EB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835360} normal block at 0x0000017745BBF020, 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) : {3835357} normal block at 0x0000017743EEDAD0, 8 bytes long.
 Data: <  FDw   > 00 00 46 44 77 01 00 00 
{3834642} normal block at 0x0000017745BBF9C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000017743EEDFD0, 8 bytes long.
 Data: < W&#195;Ew   > 80 57 C3 45 77 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000017743EE1230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017743EE2E10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000017743EF5920, 16 bytes long.
 Data: <8k&#239;Cw           > 38 6B EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017743EF5740, 16 bytes long.
 Data: < k&#239;Cw           > 10 6B EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017743EF1D80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000017743EF5BF0, 16 bytes long.
 Data: <&#232;j&#239;Cw           > E8 6A EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017743EF60A0, 16 bytes long.
 Data: <&#192;j&#239;Cw           > C0 6A EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017743EF6320, 16 bytes long.
 Data: < j&#239;Cw           > 98 6A EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017743EF56F0, 16 bytes long.
 Data: <pj&#239;Cw           > 70 6A EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017743EF6EB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000017743EF62D0, 16 bytes long.
 Data: <8U&#239;Cw           > 38 55 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017743EF1C00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000017743EF5B00, 16 bytes long.
 Data: < U&#239;Cw           > 10 55 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017743EF58D0, 16 bytes long.
 Data: <&#232;T&#239;Cw           > E8 54 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017743EF5A10, 16 bytes long.
 Data: <&#192;T&#239;Cw           > C0 54 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017743EF57E0, 16 bytes long.
 Data: < T&#239;Cw           > 98 54 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017743EF5E70, 16 bytes long.
 Data: <pT&#239;Cw           > 70 54 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017743EF61E0, 16 bytes long.
 Data: <HT&#239;Cw           > 48 54 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017743EF1F00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000017743EF6410, 16 bytes long.
 Data: < T&#239;Cw           > 20 54 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017743EF5420, 320 bytes long.
 Data: < d&#239;Cw     &#239;Cw   > 10 64 EF 43 77 01 00 00 00 1F EF 43 77 01 00 00 
{272} normal block at 0x0000017743EF6050, 16 bytes long.
 Data: <Pj&#239;Cw           > 50 6A EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017743EF5E20, 16 bytes long.
 Data: <(j&#239;Cw           > 28 6A EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017743EF1E40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000017743EF5D80, 16 bytes long.
 Data: < j&#239;Cw           > 00 6A EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017743EF1AE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000017743EF5880, 16 bytes long.
 Data: <Hi&#239;Cw           > 48 69 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017743EF65A0, 16 bytes long.
 Data: < i&#239;Cw           > 20 69 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017743EF6230, 16 bytes long.
 Data: <&#248;h&#239;Cw           > F8 68 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017743EF6370, 16 bytes long.
 Data: <&#208;h&#239;Cw           > D0 68 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017743EF60F0, 16 bytes long.
 Data: <&#168;h&#239;Cw           > A8 68 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017743EF6280, 16 bytes long.
 Data: < h&#239;Cw           > 80 68 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017743EF56A0, 16 bytes long.
 Data: <@ &#238;Cw           > 40 11 EE 43 77 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017743EE1140, 40 bytes long.
 Data: <&#160;V&#239;Cw   &#176;N&#186;Ew   > A0 56 EF 43 77 01 00 00 B0 4E BA 45 77 01 00 00 
{258} normal block at 0x0000017743EF64B0, 16 bytes long.
 Data: <`h&#239;Cw           > 60 68 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017743EF5DD0, 16 bytes long.
 Data: <8h&#239;Cw           > 38 68 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017743EF1CC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000017743EF59C0, 16 bytes long.
 Data: < h&#239;Cw           > 10 68 EF 43 77 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017743EF6810, 992 bytes long.
 Data: <&#192;Y&#239;Cw   &#192; &#239;Cw   > C0 59 EF 43 77 01 00 00 C0 1C EF 43 77 01 00 00 
{90} normal block at 0x0000017743EF1A80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000017743EEE6B0, 16 bytes long.
 Data: <&#192;&#196;&#237;Cw           > C0 C4 ED 43 77 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000017743EDC4C0, 40 bytes long.
 Data: <&#176;&#230;&#238;Cw     &#239;Cw   > B0 E6 EE 43 77 01 00 00 80 1A EF 43 77 01 00 00 
{67} normal block at 0x0000017743EEE570, 16 bytes long.
 Data: < &#234;&#148; &#246;           > 80 EA 94 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017743EEE840, 16 bytes long.
 Data: <@&#233;&#148; &#246;           > 40 E9 94 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017743EEE250, 16 bytes long.
 Data: <&#248;W&#145; &#246;           > F8 57 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017743EEDBC0, 16 bytes long.
 Data: <&#216;W&#145; &#246;           > D8 57 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017743EEE520, 16 bytes long.
 Data: <P &#145; &#246;           > 50 04 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017743EEE1B0, 16 bytes long.
 Data: <0 &#145; &#246;           > 30 04 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017743EEE2A0, 16 bytes long.
 Data: <&#224; &#145; &#246;           > E0 02 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017743EEDF80, 16 bytes long.
 Data: <  &#145; &#246;           > 10 04 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017743EEE610, 16 bytes long.
 Data: <p &#145; &#246;           > 70 04 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017743EEDB70, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 8F 8D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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