Task 38617381

Name HIF2A_2_A27_A19_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND0593_0
Workunit 31569057
Created 18 Apr 2026, 3:53:52 UTC
Sent 18 Apr 2026, 3:54:12 UTC
Report deadline 23 Apr 2026, 3:54:12 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 56 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 35.82 MB
Peak swap size 24.57 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>
05:28:25 (11140): wrapper (7.9.26016): starting
05:28:25 (11140): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A19_0.pdb
QB_A27_A19_0.xml
QB_A27_A19.inpcrd
QB_A27_A19_input.yaml
QB_A27_A19.pdb
QB_A27_A19.prmtop
QB_A27_A19_sys.xml
run.bat
run.sh
05:28:26 (11140): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:28:26 (11140): 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.
05:28:39 (11140): C:/Windows/system32/cmd.exe exited; CPU time 2.390625
05:28:39 (11140): app exit status: 0x16
05:28:39 (11140): 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: 317243 bytes.
Dumping objects ->
{3835446} normal block at 0x000001C8D20162F0, 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 0x000001C8D2016210, 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 0x000001C8D2016520, 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 0x000001C8D2016440, 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 0x000001C8D20161A0, 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 0x000001C8D3CE60F0, 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 0x000001C8D3CFE4D0, 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 0x000001C8D200D5F0, 8 bytes long.
 Data: <  C&#210;&#200;   > 00 00 43 D2 C8 01 00 00 
{3834642} normal block at 0x000001C8D3CFEB00, 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 0x000001C8D200D140, 8 bytes long.
 Data: <P &#192;&#211;&#200;   > 50 08 C0 D3 C8 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C8D2000ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C8D2002570, 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 0x000001C8D2014970, 16 bytes long.
 Data: <X` &#210;&#200;           > 58 60 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C8D2014F60, 16 bytes long.
 Data: <0` &#210;&#200;           > 30 60 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C8D2010F90, 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 0x000001C8D2014DD0, 16 bytes long.
 Data: < ` &#210;&#200;           > 08 60 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C8D2014D80, 16 bytes long.
 Data: <&#224;_ &#210;&#200;           > E0 5F 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C8D20149C0, 16 bytes long.
 Data: <&#184;_ &#210;&#200;           > B8 5F 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C8D2014F10, 16 bytes long.
 Data: < _ &#210;&#200;           > 90 5F 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C8D2016830, 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 0x000001C8D2014E70, 16 bytes long.
 Data: <   &#210;&#200;           > 18 06 00 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C8D2010F30, 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 0x000001C8D2014EC0, 16 bytes long.
 Data: <&#240;  &#210;&#200;           > F0 05 00 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C8D20154B0, 16 bytes long.
 Data: <&#200;  &#210;&#200;           > C8 05 00 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C8D20153C0, 16 bytes long.
 Data: <&#160;  &#210;&#200;           > A0 05 00 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C8D2015820, 16 bytes long.
 Data: <x  &#210;&#200;           > 78 05 00 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C8D20151E0, 16 bytes long.
 Data: <P  &#210;&#200;           > 50 05 00 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C8D2015190, 16 bytes long.
 Data: <(  &#210;&#200;           > 28 05 00 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C8D2010A50, 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 0x000001C8D2015000, 16 bytes long.
 Data: <   &#210;&#200;           > 00 05 00 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C8D2000500, 320 bytes long.
 Data: < P &#210;&#200;   P  &#210;&#200;   > 00 50 01 D2 C8 01 00 00 50 0A 01 D2 C8 01 00 00 
{272} normal block at 0x000001C8D2015140, 16 bytes long.
 Data: <p_ &#210;&#200;           > 70 5F 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C8D2014D30, 16 bytes long.
 Data: <H_ &#210;&#200;           > 48 5F 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C8D2010ED0, 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 0x000001C8D2015410, 16 bytes long.
 Data: < _ &#210;&#200;           > 20 5F 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C8D2010E10, 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 0x000001C8D20157D0, 16 bytes long.
 Data: <h^ &#210;&#200;           > 68 5E 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C8D2014CE0, 16 bytes long.
 Data: <@^ &#210;&#200;           > 40 5E 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C8D2015690, 16 bytes long.
 Data: < ^ &#210;&#200;           > 18 5E 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C8D2014C90, 16 bytes long.
 Data: <&#240;] &#210;&#200;           > F0 5D 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C8D20150F0, 16 bytes long.
 Data: <&#200;] &#210;&#200;           > C8 5D 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C8D2014C40, 16 bytes long.
 Data: <&#160;] &#210;&#200;           > A0 5D 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C8D2015370, 16 bytes long.
 Data: <&#224;&#235;&#255;&#209;&#200;           > E0 EB FF D1 C8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C8D1FFEBE0, 40 bytes long.
 Data: <pS &#210;&#200;   &#240;`&#206;&#211;&#200;   > 70 53 01 D2 C8 01 00 00 F0 60 CE D3 C8 01 00 00 
{258} normal block at 0x000001C8D2014B50, 16 bytes long.
 Data: < ] &#210;&#200;           > 80 5D 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C8D2014BA0, 16 bytes long.
 Data: <X] &#210;&#200;           > 58 5D 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C8D2010BD0, 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 0x000001C8D2015780, 16 bytes long.
 Data: <0] &#210;&#200;           > 30 5D 01 D2 C8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C8D2015D30, 992 bytes long.
 Data: < W &#210;&#200;   &#208;  &#210;&#200;   > 80 57 01 D2 C8 01 00 00 D0 0B 01 D2 C8 01 00 00 
{90} normal block at 0x000001C8D2011050, 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 0x000001C8D200D0F0, 16 bytes long.
 Data: <&#192;&#196;&#255;&#209;&#200;           > C0 C4 FF D1 C8 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001C8D1FFC4C0, 40 bytes long.
 Data: <&#240;&#208; &#210;&#200;   P  &#210;&#200;   > F0 D0 00 D2 C8 01 00 00 50 10 01 D2 C8 01 00 00 
{67} normal block at 0x000001C8D200CF60, 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 0x000001C8D200D550, 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 0x000001C8D200D1E0, 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 0x000001C8D200D050, 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 0x000001C8D200D2D0, 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 0x000001C8D200D0A0, 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 0x000001C8D200D780, 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 0x000001C8D200D960, 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 0x000001C8D200D8C0, 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 0x000001C8D200D000, 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>
]]>


©2026 Universitat Pompeu Fabra