Task 38616770

Name p38_2_A10_A06_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-1-6-RND6979_2
Workunit 31568413
Created 17 Apr 2026, 22:51:51 UTC
Sent 17 Apr 2026, 22:51:58 UTC
Report deadline 22 Apr 2026, 22:51:58 UTC
Received 18 Apr 2026, 1:17:07 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 630189
Run time 1 hours 30 min 23 sec
CPU time 1 hours 15 min 9 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 106,066.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.79 MB
Peak swap size 13.28 GB
Peak disk usage 3.05 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>
17:45:38 (26284): wrapper (7.9.26016): starting
17:45:38 (26284): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A06_0.pdb
QB_A10_A06_0.xml
QB_A10_A06.inpcrd
QB_A10_A06_input.yaml
QB_A10_A06.pdb
QB_A10_A06.prmtop
QB_A10_A06_sys.xml
run.bat
run.sh
17:45:39 (26284): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:45:39 (26284): 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.
19:15:04 (26284): C:/Windows/system32/cmd.exe exited; CPU time 4509.093750
19:15:04 (26284): app exit status: 0x16
19:15:04 (26284): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 176648047 bytes.
Dumping objects ->
{3835309} normal block at 0x0000020E49CE4CA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x0000020E49CE4220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x0000020E49CE4450, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x0000020E47FA55A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000020E47FA5B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x0000020E49C57740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000020E4800B600, 140 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) : {3835220} normal block at 0x0000020E47F9DEC0, 8 bytes long.
 Data: <  8H    > 00 00 38 48 0E 02 00 00 
{3834594} normal block at 0x0000020E4800B050, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833979} normal block at 0x0000020E47F9DBF0, 8 bytes long.
 Data: <p&#225;&#248;G    > 70 E1 F8 47 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x0000020E47F91480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000020E47F924D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{305} normal block at 0x0000020E47FA6B60, 16 bytes long.
 Data: <&#200;v&#250;G            > C8 76 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020E47FA6CF0, 16 bytes long.
 Data: <&#160;v&#250;G            > A0 76 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020E47FA0C20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{302} normal block at 0x0000020E47FA64D0, 16 bytes long.
 Data: <xv&#250;G            > 78 76 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020E47FA6980, 16 bytes long.
 Data: <Pv&#250;G            > 50 76 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020E47FA6930, 16 bytes long.
 Data: <(v&#250;G            > 28 76 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020E47FA6E80, 16 bytes long.
 Data: < v&#250;G            > 00 76 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020E47FA5C30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{297} normal block at 0x0000020E47FA6480, 16 bytes long.
 Data: <&#184; &#249;G            > B8 07 F9 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020E47FA03E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{295} normal block at 0x0000020E47FA7240, 16 bytes long.
 Data: <  &#249;G            > 90 07 F9 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020E47FA72E0, 16 bytes long.
 Data: <h &#249;G            > 68 07 F9 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020E47FA63E0, 16 bytes long.
 Data: <@ &#249;G            > 40 07 F9 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020E47FA6C50, 16 bytes long.
 Data: <  &#249;G            > 18 07 F9 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020E47FA71F0, 16 bytes long.
 Data: <&#240; &#249;G            > F0 06 F9 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020E47FA7010, 16 bytes long.
 Data: <&#200; &#249;G            > C8 06 F9 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020E47FA0260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{287} normal block at 0x0000020E47FA6AC0, 16 bytes long.
 Data: <&#160; &#249;G            > A0 06 F9 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020E47F906A0, 320 bytes long.
 Data: <&#192;j&#250;G    ` &#250;G    > C0 6A FA 47 0E 02 00 00 60 02 FA 47 0E 02 00 00 
{285} normal block at 0x0000020E47FA6C00, 16 bytes long.
 Data: <&#224;u&#250;G            > E0 75 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020E47FA6610, 16 bytes long.
 Data: <&#184;u&#250;G            > B8 75 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020E47F9FF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{282} normal block at 0x0000020E47FA6890, 16 bytes long.
 Data: < u&#250;G            > 90 75 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E47FA0800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{280} normal block at 0x0000020E47FA71A0, 16 bytes long.
 Data: <&#216;t&#250;G            > D8 74 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020E47FA6B10, 16 bytes long.
 Data: <&#176;t&#250;G            > B0 74 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020E47FA6FC0, 16 bytes long.
 Data: < t&#250;G            > 88 74 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020E47FA7150, 16 bytes long.
 Data: <`t&#250;G            > 60 74 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020E47FA6F70, 16 bytes long.
 Data: <8t&#250;G            > 38 74 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020E47FA6A70, 16 bytes long.
 Data: < t&#250;G            > 10 74 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E47FA69D0, 16 bytes long.
 Data: < V&#250;G            > 10 56 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020E47FA5610, 40 bytes long.
 Data: <&#208;i&#250;G    @w&#197;I    > D0 69 FA 47 0E 02 00 00 40 77 C5 49 0E 02 00 00 
{271} normal block at 0x0000020E47FA6E30, 16 bytes long.
 Data: <&#240;s&#250;G            > F0 73 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020E47FA68E0, 16 bytes long.
 Data: <&#200;s&#250;G            > C8 73 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020E47F9FF00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{268} normal block at 0x0000020E47FA6BB0, 16 bytes long.
 Data: <&#160;s&#250;G            > A0 73 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E47FA73A0, 992 bytes long.
 Data: <&#176;k&#250;G     &#255;&#249;G    > B0 6B FA 47 0E 02 00 00 00 FF F9 47 0E 02 00 00 
{103} normal block at 0x0000020E47FA0A40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{102} normal block at 0x0000020E47F9E640, 16 bytes long.
 Data: <`W&#250;G            > 60 57 FA 47 0E 02 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x0000020E47FA5760, 40 bytes long.
 Data: <@&#230;&#249;G    @ &#250;G    > 40 E6 F9 47 0E 02 00 00 40 0A FA 47 0E 02 00 00 
{80} normal block at 0x0000020E47F9E050, 16 bytes long.
 Data: < &#234; &#233;&#246;           > 80 EA 0F E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000020E47F9DDD0, 16 bytes long.
 Data: <@&#233; &#233;&#246;           > 40 E9 0F E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000020E47F9E960, 16 bytes long.
 Data: <&#248;W &#233;&#246;           > F8 57 0C E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000020E47F9DE70, 16 bytes long.
 Data: <&#216;W &#233;&#246;           > D8 57 0C E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000020E47F9E870, 16 bytes long.
 Data: <P  &#233;&#246;           > 50 04 0C E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000020E47F9E0F0, 16 bytes long.
 Data: <0  &#233;&#246;           > 30 04 0C E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020E47F9E4B0, 16 bytes long.
 Data: <&#224;  &#233;&#246;           > E0 02 0C E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020E47F9E910, 16 bytes long.
 Data: <   &#233;&#246;           > 10 04 0C E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020E47F9DE20, 16 bytes long.
 Data: <p  &#233;&#246;           > 70 04 0C E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020E47F9E190, 16 bytes long.
 Data: < &#192; &#233;&#246;           > 18 C0 0A E9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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