Task 38600443

Name JNK1_A03_A07_r0_2-QUICO_ATM_GAFF2_NAGL_JNK1-3-6-RND2091_0
Workunit 31555169
Created 9 Apr 2026, 3:39:12 UTC
Sent 9 Apr 2026, 3:39:27 UTC
Report deadline 14 Apr 2026, 3:39:27 UTC
Received 9 Apr 2026, 22:46:39 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 638552
Run time 3 hours 13 min 52 sec
CPU time 3 hours 10 min 13 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 20,048.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.54 MB
Peak swap size 12.88 GB
Peak disk usage 4.45 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:41:50 (24084): wrapper (7.9.26016): starting
20:41:50 (24084): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A07_0.pdb
QB_A03_A07_0.xml
QB_A03_A07.inpcrd
QB_A03_A07_input.yaml
QB_A03_A07.pdb
QB_A03_A07.prmtop
QB_A03_A07_sys.xml
run.bat
run.sh
20:41:51 (24084): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:41:51 (24084): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835437} normal block at 0x0000028C4CC2E350, 8 bytes long.
 Data: <   M    > 00 00 0E 4D 8C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000028C4EA15A80, 1080 bytes long.
 Data: < `              > D4 60 00 00 CD CD CD CD 88 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000028C4CC214C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
08:33:15 (12372): wrapper (7.9.26016): starting
08:33:15 (12372): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
09:55:54 (12372): C:/Windows/system32/cmd.exe exited; CPU time 5031.703125
09:55:54 (12372): app exit status: 0x40010004
09:55:54 (12372): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 96240172 bytes.
Dumping objects ->
{3850210} normal block at 0x000002632F815030, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850199} normal block at 0x000002632F8155E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850188} normal block at 0x000002632F815490, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850177} normal block at 0x000002632F815570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850166} normal block at 0x000002632F815730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850135} normal block at 0x0000026331517230, 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) : {3850122} normal block at 0x000002632F80E040, 8 bytes long.
 Data: <  &#215;/c   > 00 00 D7 2F 63 02 00 00 
{3848652} normal block at 0x000002632F80DFA0, 8 bytes long.
 Data: < DW1c   > 00 44 57 31 63 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002632F8018D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002632F802C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002632F816B90, 16 bytes long.
 Data: <(o /c           > 28 6F 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002632F815E70, 16 bytes long.
 Data: < o /c           > 00 6F 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002632F810800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002632F816A50, 16 bytes long.
 Data: <&#216;n /c           > D8 6E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002632F815CE0, 16 bytes long.
 Data: <&#176;n /c           > B0 6E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002632F816780, 16 bytes long.
 Data: < n /c           > 88 6E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002632F815C40, 16 bytes long.
 Data: <`n /c           > 60 6E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002632F815110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002632F816410, 16 bytes long.
 Data: <&#200;N /c           > C8 4E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002632F80FCC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002632F815DD0, 16 bytes long.
 Data: <&#160;N /c           > A0 4E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002632F816960, 16 bytes long.
 Data: <xN /c           > 78 4E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002632F8168C0, 16 bytes long.
 Data: <PN /c           > 50 4E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002632F816A00, 16 bytes long.
 Data: <(N /c           > 28 4E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002632F8167D0, 16 bytes long.
 Data: < N /c           > 00 4E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002632F816050, 16 bytes long.
 Data: <&#216;M /c           > D8 4D 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002632F8103E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002632F816910, 16 bytes long.
 Data: <&#176;M /c           > B0 4D 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002632F814DB0, 320 bytes long.
 Data: < i /c   &#224;  /c   > 10 69 81 2F 63 02 00 00 E0 03 81 2F 63 02 00 00 
{280} normal block at 0x000002632F816870, 16 bytes long.
 Data: <@n /c           > 40 6E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002632F816000, 16 bytes long.
 Data: < n /c           > 18 6E 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002632F80FFC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002632F815FB0, 16 bytes long.
 Data: <&#240;m /c           > F0 6D 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002632F80FD80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002632F816640, 16 bytes long.
 Data: <8m /c           > 38 6D 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002632F816730, 16 bytes long.
 Data: < m /c           > 10 6D 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002632F816500, 16 bytes long.
 Data: <&#232;l /c           > E8 6C 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002632F816320, 16 bytes long.
 Data: <&#192;l /c           > C0 6C 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002632F815D80, 16 bytes long.
 Data: < l /c           > 98 6C 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002632F8166E0, 16 bytes long.
 Data: <pl /c           > 70 6C 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002632F816B40, 16 bytes long.
 Data: <PV /c           > 50 56 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002632F815650, 40 bytes long.
 Data: <@k /c   0rQ1c   > 40 6B 81 2F 63 02 00 00 30 72 51 31 63 02 00 00 
{266} normal block at 0x000002632F816820, 16 bytes long.
 Data: <Pl /c           > 50 6C 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002632F8162D0, 16 bytes long.
 Data: <(l /c           > 28 6C 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002632F810620, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002632F8165F0, 16 bytes long.
 Data: < l /c           > 00 6C 81 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002632F816C00, 992 bytes long.
 Data: <&#240;e /c      /c   > F0 65 81 2F 63 02 00 00 20 06 81 2F 63 02 00 00 
{98} normal block at 0x000002632F8101A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002632F80DF00, 16 bytes long.
 Data: <p&#203; /c           > 70 CB 7F 2F 63 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002632F7FCB70, 40 bytes long.
 Data: < &#223; /c   &#160;  /c   > 00 DF 80 2F 63 02 00 00 A0 01 81 2F 63 02 00 00 
{75} normal block at 0x000002632F80DEB0, 16 bytes long.
 Data: < &#234;_e&#246;           > 80 EA 5F 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002632F80E540, 16 bytes long.
 Data: <@&#233;_e&#246;           > 40 E9 5F 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002632F80E4A0, 16 bytes long.
 Data: <&#248;W\e&#246;           > F8 57 5C 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002632F80E4F0, 16 bytes long.
 Data: <&#216;W\e&#246;           > D8 57 5C 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002632F80E2C0, 16 bytes long.
 Data: <P \e&#246;           > 50 04 5C 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002632F80DBE0, 16 bytes long.
 Data: <0 \e&#246;           > 30 04 5C 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002632F80E0E0, 16 bytes long.
 Data: <&#224; \e&#246;           > E0 02 5C 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002632F80E450, 16 bytes long.
 Data: <  \e&#246;           > 10 04 5C 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002632F80E310, 16 bytes long.
 Data: <p \e&#246;           > 70 04 5C 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002632F80DAF0, 16 bytes long.
 Data: < &#192;Ze&#246;           > 18 C0 5A 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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