Task 38583220

Name JNK1_A28_A21_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND3288_4
Workunit 31545240
Created 13 Dec 2025, 22:43:39 UTC
Sent 13 Dec 2025, 22:43:41 UTC
Report deadline 18 Dec 2025, 22:43:41 UTC
Received 14 Dec 2025, 3:31:40 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 604231
Run time 4 hours 30 min 20 sec
CPU time 4 hours 30 min 20 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 82,584.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.27 MB
Peak swap size 13.18 GB
Peak disk usage 4.11 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:50:44 (7564): wrapper (7.9.26016): starting
16:50:44 (7564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A21_0.pdb
QB_A28_A21_0.xml
QB_A28_A21_equil.pdb
QB_A28_A21.inpcrd
QB_A28_A21_input.yaml
QB_A28_A21_mdlambda.pdb
QB_A28_A21_min.pdb
QB_A28_A21_npt.pdb
QB_A28_A21_out_merged_nowater.pdb
QB_A28_A21.pdb
QB_A28_A21.prmtop
QB_A28_A21_sys.xml
QB_A28_A21_therm.pdb
run.bat
run.sh
16:50:46 (7564): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:50:46 (7564): 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 'M:\BOINC\slots\30\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 'M:\BOINC\slots\30\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.
21:27:16 (7564): C:/Windows/system32/cmd.exe exited; CPU time 16279.593750
21:27:16 (7564): app exit status: 0x40010004
21:27:16 (7564): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 329611663 bytes.
Dumping objects ->
{3835578} normal block at 0x000001FF486B4820, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x000001FF4A4801B0, 32 bytes long.
 Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x000001FF4A480630, 32 bytes long.
 Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x000001FF4A47FF70, 32 bytes long.
 Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x000001FF4A47F8B0, 32 bytes long.
 Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x000001FF486B4740, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x000001FF4871A0F0, 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) : {3835489} normal block at 0x000001FF486AD1C0, 8 bytes long.
 Data: <  &#180;H&#255;   > 00 00 B4 48 FF 01 00 00 
{3834711} normal block at 0x000001FF48719CE0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000001FF486AD760, 8 bytes long.
 Data: <&#224;&#215;iH&#255;   > E0 D7 69 48 FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FF486A1F50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FF4869F1C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001FF486B6000, 16 bytes long.
 Data: <&#200;ekH&#255;           > C8 65 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FF486B5F60, 16 bytes long.
 Data: <&#160;ekH&#255;           > A0 65 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FF486AF050, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001FF486B5F10, 16 bytes long.
 Data: <xekH&#255;           > 78 65 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FF486B5C40, 16 bytes long.
 Data: <PekH&#255;           > 50 65 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FF486B5BF0, 16 bytes long.
 Data: <(ekH&#255;           > 28 65 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FF486B61E0, 16 bytes long.
 Data: < ekH&#255;           > 00 65 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FF486B4A50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001FF486B5E70, 16 bytes long.
 Data: <X jH&#255;           > 58 15 6A 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FF486AFA70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001FF486B5CE0, 16 bytes long.
 Data: <0 jH&#255;           > 30 15 6A 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FF486B56A0, 16 bytes long.
 Data: <  jH&#255;           > 08 15 6A 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FF486B5BA0, 16 bytes long.
 Data: <&#224; jH&#255;           > E0 14 6A 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FF486B5560, 16 bytes long.
 Data: <&#184; jH&#255;           > B8 14 6A 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FF486B5920, 16 bytes long.
 Data: <  jH&#255;           > 90 14 6A 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FF486B5B50, 16 bytes long.
 Data: <h jH&#255;           > 68 14 6A 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FF486AFE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001FF486B5B00, 16 bytes long.
 Data: <@ jH&#255;           > 40 14 6A 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FF486A1440, 320 bytes long.
 Data: < [kH&#255;   0&#254;jH&#255;   > 00 5B 6B 48 FF 01 00 00 30 FE 6A 48 FF 01 00 00 
{279} normal block at 0x000001FF486B5470, 16 bytes long.
 Data: <&#224;dkH&#255;           > E0 64 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FF486B5420, 16 bytes long.
 Data: <&#184;dkH&#255;           > B8 64 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FF486AF230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001FF486B56F0, 16 bytes long.
 Data: < dkH&#255;           > 90 64 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FF486AF770, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001FF486B5790, 16 bytes long.
 Data: <&#216;ckH&#255;           > D8 63 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FF486B54C0, 16 bytes long.
 Data: <&#176;ckH&#255;           > B0 63 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FF486B59C0, 16 bytes long.
 Data: < ckH&#255;           > 88 63 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FF486B5830, 16 bytes long.
 Data: <`ckH&#255;           > 60 63 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FF486B5EC0, 16 bytes long.
 Data: <8ckH&#255;           > 38 63 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FF486B5DD0, 16 bytes long.
 Data: < ckH&#255;           > 10 63 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FF486B5970, 16 bytes long.
 Data: <&#224;IkH&#255;           > E0 49 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FF486B49E0, 40 bytes long.
 Data: <pYkH&#255;   @GkH&#255;   > 70 59 6B 48 FF 01 00 00 40 47 6B 48 FF 01 00 00 
{265} normal block at 0x000001FF486B5740, 16 bytes long.
 Data: <&#240;bkH&#255;           > F0 62 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FF486B5330, 16 bytes long.
 Data: <&#200;bkH&#255;           > C8 62 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FF486AFDD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001FF486B55B0, 16 bytes long.
 Data: <&#160;bkH&#255;           > A0 62 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FF486B62A0, 992 bytes long.
 Data: <&#176;UkH&#255;   &#208;&#253;jH&#255;   > B0 55 6B 48 FF 01 00 00 D0 FD 6A 48 FF 01 00 00 
{97} normal block at 0x000001FF486AFD70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001FF486ACF90, 16 bytes long.
 Data: < HkH&#255;           > 90 48 6B 48 FF 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001FF486B4890, 40 bytes long.
 Data: < &#207;jH&#255;   p&#253;jH&#255;   > 90 CF 6A 48 FF 01 00 00 70 FD 6A 48 FF 01 00 00 
{74} normal block at 0x000001FF486AD530, 16 bytes long.
 Data: < &#234;e &#246;           > 80 EA 65 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FF486ADC60, 16 bytes long.
 Data: <@&#233;e &#246;           > 40 E9 65 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FF486AD800, 16 bytes long.
 Data: <&#248;Wb &#246;           > F8 57 62 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FF486AD8F0, 16 bytes long.
 Data: <&#216;Wb &#246;           > D8 57 62 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FF486AD7B0, 16 bytes long.
 Data: <P b &#246;           > 50 04 62 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FF486AD710, 16 bytes long.
 Data: <0 b &#246;           > 30 04 62 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FF486AD030, 16 bytes long.
 Data: <&#224; b &#246;           > E0 02 62 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FF486AD120, 16 bytes long.
 Data: <  b &#246;           > 10 04 62 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FF486AD620, 16 bytes long.
 Data: <p b &#246;           > 70 04 62 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FF486ACFE0, 16 bytes long.
 Data: < &#192;` &#246;           > 18 C0 60 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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