Task 38603590

Name BACE_A24_A25_r0_2-QUICO_ATM_GAFF2_NAGL_BACE-4-6-RND6458_1
Workunit 31557807
Created 10 Apr 2026, 22:08:07 UTC
Sent 10 Apr 2026, 22:08:11 UTC
Report deadline 15 Apr 2026, 22:08:11 UTC
Received 10 Apr 2026, 22:24:56 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 649352
Run time 13 min 53 sec
CPU time 20 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 24,126.28 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 61.63 MB
Peak swap size 8.70 GB
Peak disk usage 3.48 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>
16:12:41 (30396): wrapper (7.9.26016): starting
16:12:41 (30396): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A25_0.pdb
QB_A24_A25_0.xml
QB_A24_A25.inpcrd
QB_A24_A25_input.yaml
QB_A24_A25.pdb
QB_A24_A25.prmtop
QB_A24_A25_sys.xml
run.bat
run.sh
16:12:54 (30396): Library/usr/bin/tar.exe exited; CPU time 1.343750
16:12:54 (30396): 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\33\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\33\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.
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
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\33\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\33\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\33\Lib\site-packages\atom_openmm\openmm_async_re.py", line 11, in <module>
    from openmm.app import *
  File "C:\ProgramData\BOINC\slots\33\Lib\site-packages\openmm\app\__init__.py", line 17, in <module>
    from .xtcfile import XTCFile
  File "C:\ProgramData\BOINC\slots\33\Lib\site-packages\openmm\app\xtcfile.py", line 6, in <module>
    from openmm.app.internal.xtc_utils import (
  File "openmm\\app\\internal\\xtc_utils\\xtc.pyx", line 1, in init openmm.app.internal.xtc_utils
ImportError: numpy.core.multiarray failed to import (auto-generated because you didn't call 'numpy.import_array()' after cimporting numpy; use '<void>numpy._import_array' to disable if you are certain you don't need it).
16:23:30 (30396): C:/Windows/system32/cmd.exe exited; CPU time 19.640625
16:23:30 (30396): app exit status: 0x16
16:23:30 (30396): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 6628169 bytes.
Dumping objects ->
{3835219} normal block at 0x00000128C4617BB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000128C4617B40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000128C4617910, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x00000128C4617AD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000128C46178A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x00000128C63E9310, 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) : {3835131} normal block at 0x00000128C460DC90, 8 bytes long.
 Data: <  &#175;&#196;(   > 00 00 AF C4 28 01 00 00 
{3833955} normal block at 0x00000128C460DD30, 8 bytes long.
 Data: < &#234;_&#196;(   > 90 EA 5F C4 28 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000128C4605DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000128C4604660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000128C46185E0, 16 bytes long.
 Data: < &#148;a&#196;(           > 18 94 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000128C4618F40, 16 bytes long.
 Data: <&#240;&#147;a&#196;(           > F0 93 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000128C46142B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000128C4618630, 16 bytes long.
 Data: <&#200;&#147;a&#196;(           > C8 93 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000128C4618E50, 16 bytes long.
 Data: <&#160;&#147;a&#196;(           > A0 93 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000128C4618900, 16 bytes long.
 Data: <x&#147;a&#196;(           > 78 93 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000128C4618E00, 16 bytes long.
 Data: <P&#147;a&#196;(           > 50 93 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000128C4617830, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000128C4618590, 16 bytes long.
 Data: <H&#229;_&#196;(           > 48 E5 5F C4 28 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000128C4614AF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000128C4618EF0, 16 bytes long.
 Data: < &#229;_&#196;(           > 20 E5 5F C4 28 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000128C4618DB0, 16 bytes long.
 Data: <&#248;&#228;_&#196;(           > F8 E4 5F C4 28 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000128C4618130, 16 bytes long.
 Data: <&#208;&#228;_&#196;(           > D0 E4 5F C4 28 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000128C4618D60, 16 bytes long.
 Data: <&#168;&#228;_&#196;(           > A8 E4 5F C4 28 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000128C46181D0, 16 bytes long.
 Data: < &#228;_&#196;(           > 80 E4 5F C4 28 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000128C4619080, 16 bytes long.
 Data: <X&#228;_&#196;(           > 58 E4 5F C4 28 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000128C4614790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000128C4618540, 16 bytes long.
 Data: <0&#228;_&#196;(           > 30 E4 5F C4 28 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000128C45FE430, 320 bytes long.
 Data: <@&#133;a&#196;(    Ga&#196;(   > 40 85 61 C4 28 01 00 00 90 47 61 C4 28 01 00 00 
{273} normal block at 0x00000128C4618D10, 16 bytes long.
 Data: <0&#147;a&#196;(           > 30 93 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000128C4618270, 16 bytes long.
 Data: < &#147;a&#196;(           > 08 93 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000128C4614010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000128C46184A0, 16 bytes long.
 Data: <&#224;&#146;a&#196;(           > E0 92 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000128C4614A90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000128C4618400, 16 bytes long.
 Data: <(&#146;a&#196;(           > 28 92 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000128C4618860, 16 bytes long.
 Data: < &#146;a&#196;(           > 00 92 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000128C4618B80, 16 bytes long.
 Data: <&#216;&#145;a&#196;(           > D8 91 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000128C46186D0, 16 bytes long.
 Data: <&#176;&#145;a&#196;(           > B0 91 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000128C4618CC0, 16 bytes long.
 Data: < &#145;a&#196;(           > 88 91 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000128C46183B0, 16 bytes long.
 Data: <`&#145;a&#196;(           > 60 91 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000128C46182C0, 16 bytes long.
 Data: < ua&#196;(           > 90 75 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000128C4617590, 40 bytes long.
 Data: <&#192;&#130;a&#196;(    &#147;>&#198;(   > C0 82 61 C4 28 01 00 00 10 93 3E C6 28 01 00 00 
{259} normal block at 0x00000128C4618810, 16 bytes long.
 Data: <@&#145;a&#196;(           > 40 91 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000128C4618BD0, 16 bytes long.
 Data: < &#145;a&#196;(           > 18 91 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000128C4614EB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000128C46189A0, 16 bytes long.
 Data: <&#240; a&#196;(           > F0 90 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000128C46190F0, 992 bytes long.
 Data: <&#160;&#137;a&#196;(   &#176;Na&#196;(   > A0 89 61 C4 28 01 00 00 B0 4E 61 C4 28 01 00 00 
{91} normal block at 0x00000128C4614190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000128C460DC40, 16 bytes long.
 Data: < ua&#196;(           > 20 75 61 C4 28 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000128C4617520, 40 bytes long.
 Data: <@&#220;`&#196;(    Aa&#196;(   > 40 DC 60 C4 28 01 00 00 90 41 61 C4 28 01 00 00 
{68} normal block at 0x00000128C460DA60, 16 bytes long.
 Data: < &#234;!&#176;&#247;           > 80 EA 21 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000128C460DBA0, 16 bytes long.
 Data: <@&#233;!&#176;&#247;           > 40 E9 21 B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000128C460E780, 16 bytes long.
 Data: <&#248;W &#176;&#247;           > F8 57 1E B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000128C460D9C0, 16 bytes long.
 Data: <&#216;W &#176;&#247;           > D8 57 1E B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000128C460E730, 16 bytes long.
 Data: <P  &#176;&#247;           > 50 04 1E B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000128C460E6E0, 16 bytes long.
 Data: <0  &#176;&#247;           > 30 04 1E B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000128C460E000, 16 bytes long.
 Data: <&#224;  &#176;&#247;           > E0 02 1E B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000128C460DDD0, 16 bytes long.
 Data: <   &#176;&#247;           > 10 04 1E B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000128C460D880, 16 bytes long.
 Data: <p  &#176;&#247;           > 70 04 1E B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000128C460E640, 16 bytes long.
 Data: < &#192; &#176;&#247;           > 18 C0 1C B0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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