Task 38611456

Name TYK2_A03_A04_r0_1-QUICO_ATM_OpenFF_TYK2-3-6-RND7018_0
Workunit 31564192
Created 15 Apr 2026, 19:46:23 UTC
Sent 15 Apr 2026, 19:46:44 UTC
Report deadline 20 Apr 2026, 19:46:44 UTC
Received 16 Apr 2026, 7:07:35 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 651883
Run time 10 hours 10 min 41 sec
CPU time 9 hours 34 min 22 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 14,907.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.63 MB
Peak swap size 19.02 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
23:24:54 (3248): wrapper (7.9.26016): starting
23:24:54 (3248): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A04_0.pdb
QB_A03_A04_0.xml
QB_A03_A04.inpcrd
QB_A03_A04_input.yaml
QB_A03_A04.pdb
QB_A03_A04.prmtop
QB_A03_A04_sys.xml
run.bat
run.sh
23:25:59 (3248): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:26:00 (3248): 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\2\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\2\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.
09:06:09 (3248): C:/Windows/system32/cmd.exe exited; CPU time 34462.296875
09:06:09 (3248): app exit status: 0xc0000142
09:06:09 (3248): 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: 31644123 bytes.
Dumping objects ->
{3835202} normal block at 0x0000000002667AB0, 48 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 0x0000000000424230, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000000000424770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000000000424150, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x00000000004240E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000000002613BA0, 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) : {3835114} normal block at 0x000000000041D710, 8 bytes long.
 Data: <  &#163;     > 00 00 A3 02 00 00 00 00 
{3833953} normal block at 0x000000000041CDB0, 8 bytes long.
 Data: < hf     > 90 68 66 02 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000000004120A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000000000040E5E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000000004257C0, 16 bytes long.
 Data: <h_B             > 68 5F 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000000004253B0, 16 bytes long.
 Data: <@_B             > 40 5F 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000000000420DB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000000000424D70, 16 bytes long.
 Data: < _B             > 18 5F 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000000000425A40, 16 bytes long.
 Data: <&#240;^B             > F0 5E 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000000000425590, 16 bytes long.
 Data: <&#200;^B             > C8 5E 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000000004259A0, 16 bytes long.
 Data: <&#160;^B             > A0 5E 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000000004243F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000000000424FF0, 16 bytes long.
 Data: <&#232;&#250;@             > E8 FA 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000000000420CF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000000000424CD0, 16 bytes long.
 Data: <&#192;&#250;@             > C0 FA 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000000004259F0, 16 bytes long.
 Data: < &#250;@             > 98 FA 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000000004252C0, 16 bytes long.
 Data: <p&#250;@             > 70 FA 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000000000424E10, 16 bytes long.
 Data: <H&#250;@             > 48 FA 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000000000424F50, 16 bytes long.
 Data: < &#250;@             > 20 FA 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000000000425AE0, 16 bytes long.
 Data: <&#248;&#249;@             > F8 F9 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000000004208D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000000000425310, 16 bytes long.
 Data: <&#208;&#249;@             > D0 F9 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000000000040F9D0, 320 bytes long.
 Data: < SB     &#208; B     > 10 53 42 00 00 00 00 00 D0 08 42 00 00 00 00 00 
{272} normal block at 0x0000000000425270, 16 bytes long.
 Data: < ^B             > 80 5E 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000000004251D0, 16 bytes long.
 Data: <X^B             > 58 5E 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000000000420ED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000000000425450, 16 bytes long.
 Data: <0^B             > 30 5E 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000000000420C90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000000000425540, 16 bytes long.
 Data: <x]B             > 78 5D 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000000000425220, 16 bytes long.
 Data: <P]B             > 50 5D 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000000000424C80, 16 bytes long.
 Data: <(]B             > 28 5D 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000000000424D20, 16 bytes long.
 Data: < ]B             > 00 5D 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000000000424F00, 16 bytes long.
 Data: <&#216;\B             > D8 5C 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000000000425720, 16 bytes long.
 Data: <&#176;\B             > B0 5C 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000000000425130, 16 bytes long.
 Data: < FB             > 90 46 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000000000424690, 40 bytes long.
 Data: <0QB     &#160;;a     > 30 51 42 00 00 00 00 00 A0 3B 61 02 00 00 00 00 
{258} normal block at 0x0000000000425180, 16 bytes long.
 Data: < \B             > 90 5C 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000000000424DC0, 16 bytes long.
 Data: <h\B             > 68 5C 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000000004203F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000000000425A90, 16 bytes long.
 Data: <@\B             > 40 5C 42 00 00 00 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000000000425C40, 992 bytes long.
 Data: < ZB     &#240; B     > 90 5A 42 00 00 00 00 00 F0 03 42 00 00 00 00 00 
{90} normal block at 0x00000000004209F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000000000041D760, 16 bytes long.
 Data: <p&#201;@             > 70 C9 40 00 00 00 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000000000040C970, 40 bytes long.
 Data: <`&#215;A     &#240;	B     > 60 D7 41 00 00 00 00 00 F0 09 42 00 00 00 00 00 
{67} normal block at 0x000000000041CA40, 16 bytes long.
 Data: < &#234;s9&#246;           > 80 EA 73 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000000000041D120, 16 bytes long.
 Data: <@&#233;s9&#246;           > 40 E9 73 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000000000041C9F0, 16 bytes long.
 Data: <&#248;Wp9&#246;           > F8 57 70 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000000000041CC20, 16 bytes long.
 Data: <&#216;Wp9&#246;           > D8 57 70 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000000000041D300, 16 bytes long.
 Data: <P p9&#246;           > 50 04 70 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000000000041CD10, 16 bytes long.
 Data: <0 p9&#246;           > 30 04 70 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000000000041D530, 16 bytes long.
 Data: <&#224; p9&#246;           > E0 02 70 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000000000041D670, 16 bytes long.
 Data: <  p9&#246;           > 10 04 70 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000000000041CBD0, 16 bytes long.
 Data: <p p9&#246;           > 70 04 70 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000000000041CF90, 16 bytes long.
 Data: < &#192;n9&#246;           > 18 C0 6E 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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