Task 38628178

Name cdk8_A05_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_cdk8-2-6-RND0746_1
Workunit 31576019
Created 24 Apr 2026, 16:39:43 UTC
Sent 24 Apr 2026, 16:40:44 UTC
Report deadline 29 Apr 2026, 16:40:44 UTC
Received 25 Apr 2026, 6:51:00 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643524
Run time 56 min 55 sec
CPU time 47 min 13 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,073.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 875.34 MB
Peak swap size 5.66 GB
Peak disk usage 3.19 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:49:39 (17656): wrapper (7.9.26016): starting
07:49:39 (17656): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A26_0.pdb
QB_A05_A26_0.xml
QB_A05_A26.inpcrd
QB_A05_A26_input.yaml
QB_A05_A26.pdb
QB_A05_A26.prmtop
QB_A05_A26_sys.xml
run.bat
run.sh
07:49:41 (17656): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:49:41 (17656): 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.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
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 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 324, in scheduleJobs
    self.print_status()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 309, in print_status
    ofile = open(logfile,"w")
            ^^^^^^^^^^^^^^^^^
PermissionError: [Errno 13] Permission denied: 'QB_A05_A26_stat.txt'
08:44:23 (17656): C:/Windows/system32/cmd.exe exited; CPU time 2833.625000
08:44:23 (17656): app exit status: 0x16
08:44:23 (17656): 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: 48121371 bytes.
Dumping objects ->
{3835277} normal block at 0x000001A8B5263640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000001A8B5263950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001A8B52635D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000001A8B5263560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001A8B35DCFA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001A8B5261B30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001A8B5267110, 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) : {3835188} normal block at 0x000001A8B35A4430, 8 bytes long.
 Data: <  R&#179;&#168;   > 00 00 52 B3 A8 01 00 00 
{3834568} normal block at 0x000001A8B52671C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001A8B35A3B70, 8 bytes long.
 Data: <&#208;&#215;U&#179;&#168;   > D0 D7 55 B3 A8 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A8B3560BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A8B3562490, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001A8B35DE160, 16 bytes long.
 Data: < &#236;]&#179;&#168;           > 98 EC 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A8B35DE6B0, 16 bytes long.
 Data: <p&#236;]&#179;&#168;           > 70 EC 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A8B35A9900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001A8B35DE430, 16 bytes long.
 Data: <H&#236;]&#179;&#168;           > 48 EC 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A8B35DDCB0, 16 bytes long.
 Data: < &#236;]&#179;&#168;           > 20 EC 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A8B35DE110, 16 bytes long.
 Data: <&#248;&#235;]&#179;&#168;           > F8 EB 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A8B35DD850, 16 bytes long.
 Data: <&#208;&#235;]&#179;&#168;           > D0 EB 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A8B35DD2B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001A8B35DDC60, 16 bytes long.
 Data: <h&#213;]&#179;&#168;           > 68 D5 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A8B35A90C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001A8B35DDEE0, 16 bytes long.
 Data: <@&#213;]&#179;&#168;           > 40 D5 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A8B35DE070, 16 bytes long.
 Data: < &#213;]&#179;&#168;           > 18 D5 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A8B35DE700, 16 bytes long.
 Data: <&#240;&#212;]&#179;&#168;           > F0 D4 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A8B35DDD00, 16 bytes long.
 Data: <&#200;&#212;]&#179;&#168;           > C8 D4 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A8B35DDAD0, 16 bytes long.
 Data: <&#160;&#212;]&#179;&#168;           > A0 D4 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A8B35DE5C0, 16 bytes long.
 Data: <x&#212;]&#179;&#168;           > 78 D4 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A8B35A8F40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001A8B35DDA80, 16 bytes long.
 Data: <P&#212;]&#179;&#168;           > 50 D4 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A8B35DD450, 320 bytes long.
 Data: < &#218;]&#179;&#168;   @ Z&#179;&#168;   > 80 DA 5D B3 A8 01 00 00 40 8F 5A B3 A8 01 00 00 
{277} normal block at 0x000001A8B35DDB70, 16 bytes long.
 Data: <&#176;&#235;]&#179;&#168;           > B0 EB 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A8B35DD8F0, 16 bytes long.
 Data: < &#235;]&#179;&#168;           > 88 EB 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A8B35A8FA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001A8B35DDA30, 16 bytes long.
 Data: <`&#235;]&#179;&#168;           > 60 EB 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A8B35A8C40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001A8B35DE340, 16 bytes long.
 Data: <&#168;&#234;]&#179;&#168;           > A8 EA 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A8B35DD9E0, 16 bytes long.
 Data: < &#234;]&#179;&#168;           > 80 EA 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A8B35DE3E0, 16 bytes long.
 Data: <X&#234;]&#179;&#168;           > 58 EA 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A8B35DE020, 16 bytes long.
 Data: <0&#234;]&#179;&#168;           > 30 EA 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A8B35DE610, 16 bytes long.
 Data: < &#234;]&#179;&#168;           > 08 EA 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A8B35DD940, 16 bytes long.
 Data: <&#224;&#233;]&#179;&#168;           > E0 E9 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A8B35DDDF0, 16 bytes long.
 Data: < &#205;]&#179;&#168;           > 00 CD 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A8B35DCD00, 40 bytes long.
 Data: <&#240;&#221;]&#179;&#168;   0 &&#181;&#168;   > F0 DD 5D B3 A8 01 00 00 30 1B 26 B5 A8 01 00 00 
{263} normal block at 0x000001A8B35DDF80, 16 bytes long.
 Data: <&#192;&#233;]&#179;&#168;           > C0 E9 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A8B35DE0C0, 16 bytes long.
 Data: < &#233;]&#179;&#168;           > 98 E9 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A8B35A9B40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001A8B35DDC10, 16 bytes long.
 Data: <p&#233;]&#179;&#168;           > 70 E9 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A8B35DE970, 992 bytes long.
 Data: < &#220;]&#179;&#168;   @&#155;Z&#179;&#168;   > 10 DC 5D B3 A8 01 00 00 40 9B 5A B3 A8 01 00 00 
{95} normal block at 0x000001A8B35A8D00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001A8B35A3E40, 16 bytes long.
 Data: <0&#207;]&#179;&#168;           > 30 CF 5D B3 A8 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001A8B35DCF30, 40 bytes long.
 Data: <@>Z&#179;&#168;     Z&#179;&#168;   > 40 3E 5A B3 A8 01 00 00 00 8D 5A B3 A8 01 00 00 
{72} normal block at 0x000001A8B35A4340, 16 bytes long.
 Data: < &#234;( &#247;           > 80 EA 28 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A8B35A47A0, 16 bytes long.
 Data: <@&#233;( &#247;           > 40 E9 28 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A8B35A4480, 16 bytes long.
 Data: <&#248;W% &#247;           > F8 57 25 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A8B35A42F0, 16 bytes long.
 Data: <&#216;W% &#247;           > D8 57 25 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A8B35A3FD0, 16 bytes long.
 Data: <P % &#247;           > 50 04 25 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A8B35A4160, 16 bytes long.
 Data: <0 % &#247;           > 30 04 25 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A8B35A3F80, 16 bytes long.
 Data: <&#224; % &#247;           > E0 02 25 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A8B35A4110, 16 bytes long.
 Data: <  % &#247;           > 10 04 25 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A8B35A47F0, 16 bytes long.
 Data: <p % &#247;           > 70 04 25 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A8B35A4700, 16 bytes long.
 Data: < &#192;# &#247;           > 18 C0 23 11 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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