Task 38605992

Name TYK2_A10_A04_r0_2-QUICO_ATM_OpenFF_TYK2-0-6-RND6959_0
Workunit 31559804
Created 14 Apr 2026, 7:38:37 UTC
Sent 14 Apr 2026, 7:38:43 UTC
Report deadline 19 Apr 2026, 7:38:43 UTC
Received 14 Apr 2026, 12:41:27 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 649496
Run time 4 hours 54 min 24 sec
CPU time 4 hours 31 min 41 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 696.63 MB
Peak swap size 5.35 GB
Peak disk usage 2.79 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>
09:48:02 (12276): wrapper (7.9.26016): starting
09:48:02 (12276): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A04_0.pdb
QB_A10_A04_0.xml
QB_A10_A04.inpcrd
QB_A10_A04_input.yaml
QB_A10_A04.pdb
QB_A10_A04.prmtop
QB_A10_A04_sys.xml
run.bat
run.sh
09:48:04 (12276): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:48:04 (12276): 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\3\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\3\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.
tar: run.log: file changed as we read it
tar: r*/*.out: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
tar: r*/*.xml: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:39:34 (12276): C:/Windows/system32/cmd.exe exited; CPU time 16301.312500
14:39:34 (12276): app exit status: 0x2
14:39:34 (12276): 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: 196673943 bytes.
Dumping objects ->
{3835257} normal block at 0x0000013FCA2E0840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000013FCA2E07D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000013FCA2E04C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x0000013FCA2E0450, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000013FC848D390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x0000013FCA3D33A0, 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) : {3835169} normal block at 0x0000013FC8453B20, 8 bytes long.
 Data: <   &#200;?   > 00 00 8D C8 3F 01 00 00 
{3833963} normal block at 0x0000013FC84546B0, 8 bytes long.
 Data: <&#208;&#215;@&#200;?   > D0 D7 40 C8 3F 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000013FC84110C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000013FC8411F80, 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 0x0000013FC848E660, 16 bytes long.
 Data: < &#236;H&#200;?           > 98 EC 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013FC848E570, 16 bytes long.
 Data: <p&#236;H&#200;?           > 70 EC 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013FC8459840, 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 0x0000013FC848D800, 16 bytes long.
 Data: <H&#236;H&#200;?           > 48 EC 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013FC848E160, 16 bytes long.
 Data: < &#236;H&#200;?           > 20 EC 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013FC848E340, 16 bytes long.
 Data: <&#248;&#235;H&#200;?           > F8 EB 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013FC848E110, 16 bytes long.
 Data: <&#208;&#235;H&#200;?           > D0 EB 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013FC848D240, 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 0x0000013FC848E200, 16 bytes long.
 Data: <h&#213;H&#200;?           > 68 D5 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013FC8459000, 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 0x0000013FC848E5C0, 16 bytes long.
 Data: <@&#213;H&#200;?           > 40 D5 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013FC848D990, 16 bytes long.
 Data: < &#213;H&#200;?           > 18 D5 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013FC848E0C0, 16 bytes long.
 Data: <&#240;&#212;H&#200;?           > F0 D4 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013FC848DFD0, 16 bytes long.
 Data: <&#200;&#212;H&#200;?           > C8 D4 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013FC848E750, 16 bytes long.
 Data: <&#160;&#212;H&#200;?           > A0 D4 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013FC848D8F0, 16 bytes long.
 Data: <x&#212;H&#200;?           > 78 D4 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013FC8459360, 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 0x0000013FC848DDA0, 16 bytes long.
 Data: <P&#212;H&#200;?           > 50 D4 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013FC848D450, 320 bytes long.
 Data: <&#160;&#221;H&#200;?   `&#147;E&#200;?   > A0 DD 48 C8 3F 01 00 00 60 93 45 C8 3F 01 00 00 
{277} normal block at 0x0000013FC848E250, 16 bytes long.
 Data: <&#176;&#235;H&#200;?           > B0 EB 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013FC848DF80, 16 bytes long.
 Data: < &#235;H&#200;?           > 88 EB 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013FC8458EE0, 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 0x0000013FC848DB20, 16 bytes long.
 Data: <`&#235;H&#200;?           > 60 EB 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013FC84594E0, 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 0x0000013FC848E020, 16 bytes long.
 Data: <&#168;&#234;H&#200;?           > A8 EA 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013FC848D850, 16 bytes long.
 Data: < &#234;H&#200;?           > 80 EA 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013FC848DE90, 16 bytes long.
 Data: <X&#234;H&#200;?           > 58 EA 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013FC848E700, 16 bytes long.
 Data: <0&#234;H&#200;?           > 30 EA 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013FC848DF30, 16 bytes long.
 Data: < &#234;H&#200;?           > 08 EA 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013FC848E070, 16 bytes long.
 Data: <&#224;&#233;H&#200;?           > E0 E9 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013FC848DAD0, 16 bytes long.
 Data: <&#208;&#209;H&#200;?           > D0 D1 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013FC848D1D0, 40 bytes long.
 Data: <&#208;&#218;H&#200;?   &#160;3=&#202;?   > D0 DA 48 C8 3F 01 00 00 A0 33 3D CA 3F 01 00 00 
{263} normal block at 0x0000013FC848DEE0, 16 bytes long.
 Data: <&#192;&#233;H&#200;?           > C0 E9 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013FC848E610, 16 bytes long.
 Data: < &#233;H&#200;?           > 98 E9 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013FC8458D00, 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 0x0000013FC848DA80, 16 bytes long.
 Data: <p&#233;H&#200;?           > 70 E9 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013FC848E970, 992 bytes long.
 Data: < &#218;H&#200;?     E&#200;?   > 80 DA 48 C8 3F 01 00 00 00 8D 45 C8 3F 01 00 00 
{95} normal block at 0x0000013FC84593C0, 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 0x0000013FC84540C0, 16 bytes long.
 Data: < &#208;H&#200;?           > 80 D0 48 C8 3F 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000013FC848D080, 40 bytes long.
 Data: <&#192;@E&#200;?   &#192;&#147;E&#200;?   > C0 40 45 C8 3F 01 00 00 C0 93 45 C8 3F 01 00 00 
{72} normal block at 0x0000013FC84542F0, 16 bytes long.
 Data: < &#234;&#219;&#155;&#246;           > 80 EA DB 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000013FC8453DF0, 16 bytes long.
 Data: <@&#233;&#219;&#155;&#246;           > 40 E9 DB 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013FC8453EE0, 16 bytes long.
 Data: <&#248;W&#216;&#155;&#246;           > F8 57 D8 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013FC8453940, 16 bytes long.
 Data: <&#216;W&#216;&#155;&#246;           > D8 57 D8 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013FC8453E90, 16 bytes long.
 Data: <P &#216;&#155;&#246;           > 50 04 D8 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013FC8453A80, 16 bytes long.
 Data: <0 &#216;&#155;&#246;           > 30 04 D8 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013FC8453A30, 16 bytes long.
 Data: <&#224; &#216;&#155;&#246;           > E0 02 D8 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013FC8453990, 16 bytes long.
 Data: <  &#216;&#155;&#246;           > 10 04 D8 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013FC84547F0, 16 bytes long.
 Data: <p &#216;&#155;&#246;           > 70 04 D8 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013FC8454020, 16 bytes long.
 Data: < &#192;&#214;&#155;&#246;           > 18 C0 D6 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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