Task 38616482

Name hif2a_2_A02_A17_r0_4-QUICO_ATM_OpenFF_NAGL_hif2a_2-1-6-RND6616_0
Workunit 31568353
Created 17 Apr 2026, 20:51:25 UTC
Sent 17 Apr 2026, 20:51:32 UTC
Report deadline 22 Apr 2026, 20:51:32 UTC
Received 18 Apr 2026, 4:31:51 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652087
Run time 1 min 3 sec
CPU time 1 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 41.38 MB
Peak swap size 2.66 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>
05:27:18 (4168): wrapper (7.9.26016): starting
05:27:18 (4168): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A17_0.pdb
QB_A02_A17_0.xml
QB_A02_A17.inpcrd
QB_A02_A17_input.yaml
QB_A02_A17.pdb
QB_A02_A17.prmtop
QB_A02_A17_sys.xml
run.bat
run.sh
05:27:19 (4168): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:27:19 (4168): 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.
05:27:39 (4168): C:/Windows/system32/cmd.exe exited; CPU time 1.062500
05:27:39 (4168): app exit status: 0x16
05:27:39 (4168): 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: 315385 bytes.
Dumping objects ->
{3835446} normal block at 0x0000027F8A155D70, 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 0x0000027F8A1562B0, 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 0x0000027F8A156240, 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 0x0000027F8A1561D0, 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 0x0000027F8A156160, 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 0x0000027F8BF058C0, 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 0x0000027F8BF1E680, 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 0x0000027F8A14D8B0, 8 bytes long.
 Data: <  c&#138;    > 00 00 63 8A 7F 02 00 00 
{3834642} normal block at 0x0000027F8BF1E3C0, 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 0x0000027F8A14DAE0, 8 bytes long.
 Data: < 6&#246;&#139;    > 10 36 F6 8B 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000027F8A140880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027F8A141750, 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 0x0000027F8A155180, 16 bytes long.
 Data: <Xh &#138;            > 58 68 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027F8A155040, 16 bytes long.
 Data: <0h &#138;            > 30 68 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027F8A150A40, 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 0x0000027F8A1558B0, 16 bytes long.
 Data: < h &#138;            > 08 68 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027F8A155630, 16 bytes long.
 Data: <&#224;g &#138;            > E0 67 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027F8A1555E0, 16 bytes long.
 Data: <&#184;g &#138;            > B8 67 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027F8A155720, 16 bytes long.
 Data: < g &#138;            > 90 67 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027F8A156010, 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 0x0000027F8A1554A0, 16 bytes long.
 Data: <X&#179; &#138;            > 58 B3 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027F8A150DA0, 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 0x0000027F8A1556D0, 16 bytes long.
 Data: <0&#179; &#138;            > 30 B3 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027F8A154C30, 16 bytes long.
 Data: < &#179; &#138;            > 08 B3 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027F8A155270, 16 bytes long.
 Data: <&#224;&#178; &#138;            > E0 B2 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027F8A155540, 16 bytes long.
 Data: <&#184;&#178; &#138;            > B8 B2 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027F8A155450, 16 bytes long.
 Data: < &#178; &#138;            > 90 B2 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027F8A155680, 16 bytes long.
 Data: <h&#178; &#138;            > 68 B2 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027F8A1506E0, 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 0x0000027F8A154B90, 16 bytes long.
 Data: <@&#178; &#138;            > 40 B2 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027F8A13B240, 320 bytes long.
 Data: < K &#138;    &#224;  &#138;    > 90 4B 15 8A 7F 02 00 00 E0 06 15 8A 7F 02 00 00 
{272} normal block at 0x0000027F8A154E10, 16 bytes long.
 Data: <pg &#138;            > 70 67 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027F8A155590, 16 bytes long.
 Data: <Hg &#138;            > 48 67 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027F8A150C80, 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 0x0000027F8A154B40, 16 bytes long.
 Data: < g &#138;            > 20 67 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027F8A150920, 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 0x0000027F8A155130, 16 bytes long.
 Data: <hf &#138;            > 68 66 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027F8A154AF0, 16 bytes long.
 Data: <@f &#138;            > 40 66 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027F8A154C80, 16 bytes long.
 Data: < f &#138;            > 18 66 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027F8A154DC0, 16 bytes long.
 Data: <&#240;e &#138;            > F0 65 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027F8A154D70, 16 bytes long.
 Data: <&#200;e &#138;            > C8 65 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027F8A155310, 16 bytes long.
 Data: <&#160;e &#138;            > A0 65 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027F8A1554F0, 16 bytes long.
 Data: < c &#138;            > 90 63 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027F8A156390, 40 bytes long.
 Data: <&#240;T &#138;    &#192;X&#240;&#139;    > F0 54 15 8A 7F 02 00 00 C0 58 F0 8B 7F 02 00 00 
{258} normal block at 0x0000027F8A154E60, 16 bytes long.
 Data: < e &#138;            > 80 65 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027F8A154960, 16 bytes long.
 Data: <Xe &#138;            > 58 65 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027F8A1511C0, 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 0x0000027F8A155860, 16 bytes long.
 Data: <0e &#138;            > 30 65 15 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027F8A156530, 992 bytes long.
 Data: <`X &#138;    &#192;  &#138;    > 60 58 15 8A 7F 02 00 00 C0 11 15 8A 7F 02 00 00 
{90} normal block at 0x0000027F8A151100, 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 0x0000027F8A14DA40, 16 bytes long.
 Data: <&#208;&#174; &#138;            > D0 AE 13 8A 7F 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000027F8A13AED0, 40 bytes long.
 Data: <@&#218; &#138;       &#138;    > 40 DA 14 8A 7F 02 00 00 00 11 15 8A 7F 02 00 00 
{67} normal block at 0x0000027F8A14DD60, 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 0x0000027F8A14DCC0, 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 0x0000027F8A14DDB0, 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 0x0000027F8A14D9F0, 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 0x0000027F8A14DC70, 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 0x0000027F8A14CF50, 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 0x0000027F8A14DA90, 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 0x0000027F8A14D540, 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 0x0000027F8A14D090, 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 0x0000027F8A14DD10, 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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