Task 38617462

Name hif2a_2_A14_A05_r0_2-QUICO_ATM_OpenFF_NAGL_hif2a_2-3-6-RND0583_0
Workunit 31569117
Created 18 Apr 2026, 4:32:02 UTC
Sent 18 Apr 2026, 4:32:07 UTC
Report deadline 23 Apr 2026, 4:32:07 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 76.20 MB
Peak swap size 2.89 GB
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>
05:57:58 (1792): wrapper (7.9.26016): starting
05:57:58 (1792): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A05_0.pdb
QB_A14_A05_0.xml
QB_A14_A05.inpcrd
QB_A14_A05_input.yaml
QB_A14_A05.pdb
QB_A14_A05.prmtop
QB_A14_A05_sys.xml
run.bat
run.sh
05:57:59 (1792): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:57:59 (1792): 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.
05:58:11 (1792): C:/Windows/system32/cmd.exe exited; CPU time 2.453125
05:58:11 (1792): app exit status: 0x16
05:58:11 (1792): 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: 313505 bytes.
Dumping objects ->
{3835446} normal block at 0x000002A89CE95FB0, 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 0x000002A89CE95E60, 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 0x000002A89CE96560, 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 0x000002A89CE95F40, 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 0x000002A89CE964F0, 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 0x000002A89EBBAAA0, 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 0x000002A89EBCE4D0, 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 0x000002A89CE8D2B0, 8 bytes long.
 Data: <  2 &#168;   > 00 00 32 9D A8 02 00 00 
{3834642} normal block at 0x000002A89EBCEA50, 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 0x000002A89CE8CC20, 8 bytes long.
 Data: <&#192;&#213;&#231;&#156;&#168;   > C0 D5 E7 9C A8 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002A89CE81710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A89CE7F260, 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 0x000002A89CE94EA0, 16 bytes long.
 Data: < ]&#233;&#156;&#168;           > 18 5D E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A89CE95300, 16 bytes long.
 Data: <&#240;\&#233;&#156;&#168;           > F0 5C E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A89CE91130, 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 0x000002A89CE94E50, 16 bytes long.
 Data: <&#200;\&#233;&#156;&#168;           > C8 5C E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A89CE94DB0, 16 bytes long.
 Data: <&#160;\&#233;&#156;&#168;           > A0 5C E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A89CE94E00, 16 bytes long.
 Data: <x\&#233;&#156;&#168;           > 78 5C E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A89CE94950, 16 bytes long.
 Data: <P\&#233;&#156;&#168;           > 50 5C E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A89CE96170, 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 0x000002A89CE952B0, 16 bytes long.
 Data: <X &#232;&#156;&#168;           > 58 13 E8 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A89CE90D70, 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 0x000002A89CE94A40, 16 bytes long.
 Data: <0 &#232;&#156;&#168;           > 30 13 E8 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A89CE94C70, 16 bytes long.
 Data: <  &#232;&#156;&#168;           > 08 13 E8 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A89CE94810, 16 bytes long.
 Data: <&#224; &#232;&#156;&#168;           > E0 12 E8 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A89CE95260, 16 bytes long.
 Data: <&#184; &#232;&#156;&#168;           > B8 12 E8 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A89CE94B80, 16 bytes long.
 Data: <  &#232;&#156;&#168;           > 90 12 E8 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A89CE94FE0, 16 bytes long.
 Data: <h &#232;&#156;&#168;           > 68 12 E8 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A89CE910D0, 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 0x000002A89CE95580, 16 bytes long.
 Data: <@ &#232;&#156;&#168;           > 40 12 E8 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A89CE81240, 320 bytes long.
 Data: < U&#233;&#156;&#168;   &#208; &#233;&#156;&#168;   > 80 55 E9 9C A8 02 00 00 D0 10 E9 9C A8 02 00 00 
{272} normal block at 0x000002A89CE94D10, 16 bytes long.
 Data: <0\&#233;&#156;&#168;           > 30 5C E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A89CE949F0, 16 bytes long.
 Data: < \&#233;&#156;&#168;           > 08 5C E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A89CE90470, 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 0x000002A89CE94AE0, 16 bytes long.
 Data: <&#224;[&#233;&#156;&#168;           > E0 5B E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A89CE91010, 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 0x000002A89CE94720, 16 bytes long.
 Data: <([&#233;&#156;&#168;           > 28 5B E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A89CE95530, 16 bytes long.
 Data: < [&#233;&#156;&#168;           > 00 5B E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A89CE94770, 16 bytes long.
 Data: <&#216;Z&#233;&#156;&#168;           > D8 5A E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A89CE95490, 16 bytes long.
 Data: <&#176;Z&#233;&#156;&#168;           > B0 5A E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A89CE951C0, 16 bytes long.
 Data: < Z&#233;&#156;&#168;           > 88 5A E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A89CE94A90, 16 bytes long.
 Data: <`Z&#233;&#156;&#168;           > 60 5A E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A89CE946D0, 16 bytes long.
 Data: < &#209;&#231;&#156;&#168;           > 20 D1 E7 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A89CE7D120, 40 bytes long.
 Data: <&#208;F&#233;&#156;&#168;   &#160;&#170;&#187;&#158;&#168;   > D0 46 E9 9C A8 02 00 00 A0 AA BB 9E A8 02 00 00 
{258} normal block at 0x000002A89CE95170, 16 bytes long.
 Data: <@Z&#233;&#156;&#168;           > 40 5A E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A89CE94CC0, 16 bytes long.
 Data: < Z&#233;&#156;&#168;           > 18 5A E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A89CE90FB0, 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 0x000002A89CE95120, 16 bytes long.
 Data: <&#240;Y&#233;&#156;&#168;           > F0 59 E9 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A89CE959F0, 992 bytes long.
 Data: < Q&#233;&#156;&#168;   &#176; &#233;&#156;&#168;   > 20 51 E9 9C A8 02 00 00 B0 0F E9 9C A8 02 00 00 
{90} normal block at 0x000002A89CE90BF0, 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 0x000002A89CE8D210, 16 bytes long.
 Data: <0&#197;&#231;&#156;&#168;           > 30 C5 E7 9C A8 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002A89CE7C530, 40 bytes long.
 Data: < &#210;&#232;&#156;&#168;   &#240; &#233;&#156;&#168;   > 10 D2 E8 9C A8 02 00 00 F0 0B E9 9C A8 02 00 00 
{67} normal block at 0x000002A89CE8D940, 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 0x000002A89CE8DB20, 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 0x000002A89CE8CBD0, 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 0x000002A89CE8CDB0, 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 0x000002A89CE8CD10, 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 0x000002A89CE8D4E0, 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 0x000002A89CE8DA80, 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 0x000002A89CE8D1C0, 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 0x000002A89CE8D530, 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 0x000002A89CE8DA30, 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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