Task 38616553

Name p38_2_A05_A24_r0_1-QUICO_ATM_OpenFF_NAGL_p38_2-1-6-RND0698_0
Workunit 31568396
Created 17 Apr 2026, 21:20:30 UTC
Sent 17 Apr 2026, 21:20:46 UTC
Report deadline 22 Apr 2026, 21:20:46 UTC
Received 18 Apr 2026, 6:44:01 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641542
Run time 2 min 12 sec
CPU time 4 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 13,831.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 70.42 MB
Peak swap size 5.90 GB
Peak disk usage 3.74 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>
07:41:13 (21952): wrapper (7.9.26016): starting
07:41:13 (21952): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A24_0.pdb
QB_A05_A24_0.xml
QB_A05_A24.inpcrd
QB_A05_A24_input.yaml
QB_A05_A24.pdb
QB_A05_A24.prmtop
QB_A05_A24_sys.xml
run.bat
run.sh
07:41:16 (21952): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:41:16 (21952): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
  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.
07:42:01 (21952): C:/Windows/system32/cmd.exe exited; CPU time 4.250000
07:42:01 (21952): app exit status: 0x16
07:42:01 (21952): 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: 1043149 bytes.
Dumping objects ->
{3835541} normal block at 0x0000020376C94D30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835530} normal block at 0x0000020376C659E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835519} normal block at 0x0000020376C65890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835508} normal block at 0x0000020376C652E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x0000020376C65740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835466} normal block at 0x00000203788BA300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835453} normal block at 0x0000020376C5DEB0, 8 bytes long.
 Data: <  &#188;v    > 00 00 BC 76 03 02 00 00 
{3833969} normal block at 0x0000020376C5E220, 8 bytes long.
 Data: <&#240;C&#145;x    > F0 43 91 78 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020376C51820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020376C525F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000020376C66D00, 16 bytes long.
 Data: <&#216;q&#198;v            > D8 71 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020376C66990, 16 bytes long.
 Data: <&#176;q&#198;v            > B0 71 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020376C60260, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000020376C66670, 16 bytes long.
 Data: < q&#198;v            > 88 71 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020376C66C60, 16 bytes long.
 Data: <`q&#198;v            > 60 71 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020376C66B70, 16 bytes long.
 Data: <8q&#198;v            > 38 71 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020376C66760, 16 bytes long.
 Data: < q&#198;v            > 10 71 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020376C65350, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020376C66120, 16 bytes long.
 Data: <&#168; &#197;v            > A8 0B C5 76 03 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020376C60680, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020376C66620, 16 bytes long.
 Data: <  &#197;v            > 80 0B C5 76 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020376C665D0, 16 bytes long.
 Data: <X &#197;v            > 58 0B C5 76 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020376C669E0, 16 bytes long.
 Data: <0 &#197;v            > 30 0B C5 76 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020376C66580, 16 bytes long.
 Data: <  &#197;v            > 08 0B C5 76 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020376C668F0, 16 bytes long.
 Data: <&#224; &#197;v            > E0 0A C5 76 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020376C663A0, 16 bytes long.
 Data: <&#184; &#197;v            > B8 0A C5 76 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020376C60440, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020376C66350, 16 bytes long.
 Data: <  &#197;v            > 90 0A C5 76 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020376C50A90, 320 bytes long.
 Data: <Pc&#198;v    @ &#198;v    > 50 63 C6 76 03 02 00 00 40 04 C6 76 03 02 00 00 
{280} normal block at 0x0000020376C668A0, 16 bytes long.
 Data: <&#240;p&#198;v            > F0 70 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020376C66850, 16 bytes long.
 Data: <&#200;p&#198;v            > C8 70 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020376C60740, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000020376C66080, 16 bytes long.
 Data: <&#160;p&#198;v            > A0 70 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020376C60380, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000020376C66530, 16 bytes long.
 Data: <&#232;o&#198;v            > E8 6F C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020376C66300, 16 bytes long.
 Data: <&#192;o&#198;v            > C0 6F C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020376C66C10, 16 bytes long.
 Data: < o&#198;v            > 98 6F C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020376C65EF0, 16 bytes long.
 Data: <po&#198;v            > 70 6F C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020376C661C0, 16 bytes long.
 Data: <Ho&#198;v            > 48 6F C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020376C65F90, 16 bytes long.
 Data: < o&#198;v            > 20 6F C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020376C66B20, 16 bytes long.
 Data: < Y&#198;v            > 00 59 C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020376C65900, 40 bytes long.
 Data: < k&#198;v     &#163;&#139;x    > 20 6B C6 76 03 02 00 00 00 A3 8B 78 03 02 00 00 
{266} normal block at 0x0000020376C66260, 16 bytes long.
 Data: < o&#198;v            > 00 6F C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020376C66710, 16 bytes long.
 Data: <&#216;n&#198;v            > D8 6E C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020376C600E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020376C662B0, 16 bytes long.
 Data: <&#176;n&#198;v            > B0 6E C6 76 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020376C66EB0, 992 bytes long.
 Data: <&#176;b&#198;v    &#224; &#198;v    > B0 62 C6 76 03 02 00 00 E0 00 C6 76 03 02 00 00 
{98} normal block at 0x0000020376C60800, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000020376C5E540, 16 bytes long.
 Data: <&#192;&#214;&#196;v            > C0 D6 C4 76 03 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020376C4D6C0, 40 bytes long.
 Data: <@&#229;&#197;v      &#198;v    > 40 E5 C5 76 03 02 00 00 00 08 C6 76 03 02 00 00 
{75} normal block at 0x0000020376C5DAF0, 16 bytes long.
 Data: < &#234;&#253;X&#247;           > 80 EA FD 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020376C5E360, 16 bytes long.
 Data: <@&#233;&#253;X&#247;           > 40 E9 FD 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020376C5DBE0, 16 bytes long.
 Data: <&#248;W&#250;X&#247;           > F8 57 FA 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020376C5DA00, 16 bytes long.
 Data: <&#216;W&#250;X&#247;           > D8 57 FA 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020376C5DE60, 16 bytes long.
 Data: <P &#250;X&#247;           > 50 04 FA 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020376C5E270, 16 bytes long.
 Data: <0 &#250;X&#247;           > 30 04 FA 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020376C5DC30, 16 bytes long.
 Data: <&#224; &#250;X&#247;           > E0 02 FA 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020376C5E180, 16 bytes long.
 Data: <  &#250;X&#247;           > 10 04 FA 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020376C5DB90, 16 bytes long.
 Data: <p &#250;X&#247;           > 70 04 FA 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020376C5E130, 16 bytes long.
 Data: < &#192;&#248;X&#247;           > 18 C0 F8 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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