Task 38581145

Name PFKFB3_A18_A25_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-0-5-RND3688_0
Workunit 31545671
Created 12 Dec 2025, 10:36:12 UTC
Sent 12 Dec 2025, 10:36:27 UTC
Report deadline 17 Dec 2025, 10:36:27 UTC
Received 14 Dec 2025, 7:42:31 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641259
Run time 2 min 19 sec
CPU time 2 min 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 3,036.49 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.37 MB
Peak swap size 18.74 GB
Peak disk usage 3.71 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>
02:36:51 (15548): wrapper (7.9.26016): starting
02:36:51 (15548): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A25_0.pdb
QB_A18_A25_0.xml
QB_A18_A25_equil.pdb
QB_A18_A25.inpcrd
QB_A18_A25_input.yaml
QB_A18_A25_mdlambda.pdb
QB_A18_A25_min.pdb
QB_A18_A25_npt.pdb
QB_A18_A25.pdb
QB_A18_A25.prmtop
QB_A18_A25_sys.xml
QB_A18_A25_therm.pdb
run.bat
run.sh
02:36:54 (15548): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:36:54 (15548): 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\36\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\36\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.
02:40:10 (15548): C:/Windows/system32/cmd.exe exited; CPU time 185.484375
02:40:10 (15548): app exit status: 0xc2
02:40:10 (15548): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 4024087 bytes.
Dumping objects ->
{3835348} normal block at 0x00000000005F4300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835337} normal block at 0x00000000005F4680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835326} normal block at 0x00000000005F47D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835315} normal block at 0x00000000005F4610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835304} normal block at 0x00000000005F46F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835273} normal block at 0x0000000002726EB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x000000000063E070, 141 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) : {3835259} normal block at 0x00000000005ED780, 8 bytes long.
 Data: <        > 00 00 8D 00 00 00 00 00 
{3834603} normal block at 0x000000000063E7C0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000000005ED320, 8 bytes long.
 Data: < 6x     > 80 36 78 02 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000000005E0CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000000005E1F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000000005F4FF0, 16 bytes long.
 Data: <&#216;a_             > D8 61 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000000005F5630, 16 bytes long.
 Data: <&#176;a_             > B0 61 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000000005F1180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000000005F4F00, 16 bytes long.
 Data: < a_             > 88 61 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000000005F4E60, 16 bytes long.
 Data: <`a_             > 60 61 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000000005F5310, 16 bytes long.
 Data: <8a_             > 38 61 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000000005F5590, 16 bytes long.
 Data: < a_             > 10 61 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000000005E06D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000000005F5450, 16 bytes long.
 Data: <h ^             > 68 06 5E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000000005F1540, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000000005F5950, 16 bytes long.
 Data: <@ ^             > 40 06 5E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000000005F4C30, 16 bytes long.
 Data: <  ^             > 18 06 5E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000000005F4AF0, 16 bytes long.
 Data: <&#240; ^             > F0 05 5E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000000005F54F0, 16 bytes long.
 Data: <&#200; ^             > C8 05 5E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000000005F5270, 16 bytes long.
 Data: <&#160; ^             > A0 05 5E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000000005F4E10, 16 bytes long.
 Data: <x ^             > 78 05 5E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000000005F1060, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x00000000005F5720, 16 bytes long.
 Data: <P ^             > 50 05 5E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000000005E0550, 320 bytes long.
 Data: < W_     ` _     > 20 57 5F 00 00 00 00 00 60 10 5F 00 00 00 00 00 
{270} normal block at 0x00000000005F55E0, 16 bytes long.
 Data: <&#240;`_             > F0 60 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000000005F5540, 16 bytes long.
 Data: <&#200;`_             > C8 60 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000000005F0FA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000000005F53B0, 16 bytes long.
 Data: <&#160;`_             > A0 60 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000000005F0B20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000000005F5220, 16 bytes long.
 Data: <&#232;__             > E8 5F 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000000005F5130, 16 bytes long.
 Data: <&#192;__             > C0 5F 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000000005F4D20, 16 bytes long.
 Data: < __             > 98 5F 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000000005F4C80, 16 bytes long.
 Data: <p__             > 70 5F 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000000005F4EB0, 16 bytes long.
 Data: <H__             > 48 5F 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000000005F5360, 16 bytes long.
 Data: < __             > 20 5F 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000000005F4CD0, 16 bytes long.
 Data: <0&#197;]             > 30 C5 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000000005DC530, 40 bytes long.
 Data: <&#208;L_     &#176;nr     > D0 4C 5F 00 00 00 00 00 B0 6E 72 02 00 00 00 00 
{256} normal block at 0x00000000005F4BE0, 16 bytes long.
 Data: < __             > 00 5F 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000000005F54A0, 16 bytes long.
 Data: <&#216;^_             > D8 5E 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000000005F0AC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000000005F52C0, 16 bytes long.
 Data: <&#176;^_             > B0 5E 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000000005F5EB0, 992 bytes long.
 Data: <&#192;R_     &#192; _     > C0 52 5F 00 00 00 00 00 C0 0A 5F 00 00 00 00 00 
{88} normal block at 0x00000000005F1120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000000005ED140, 16 bytes long.
 Data: <&#192; _             > C0 06 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000000005F06C0, 40 bytes long.
 Data: <@&#209;^       _     > 40 D1 5E 00 00 00 00 00 20 11 5F 00 00 00 00 00 
{65} normal block at 0x00000000005EDD20, 16 bytes long.
 Data: < &#234;$w&#247;           > 80 EA 24 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000000005EDB90, 16 bytes long.
 Data: <@&#233;$w&#247;           > 40 E9 24 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000000005EDCD0, 16 bytes long.
 Data: <&#248;W!w&#247;           > F8 57 21 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000000005ED550, 16 bytes long.
 Data: <&#216;W!w&#247;           > D8 57 21 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000000005EDB40, 16 bytes long.
 Data: <P !w&#247;           > 50 04 21 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000000005EDA50, 16 bytes long.
 Data: <0 !w&#247;           > 30 04 21 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000000005EDAA0, 16 bytes long.
 Data: <&#224; !w&#247;           > E0 02 21 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000000005EDC80, 16 bytes long.
 Data: <  !w&#247;           > 10 04 21 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000000005ED460, 16 bytes long.
 Data: <p !w&#247;           > 70 04 21 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000000005ED5F0, 16 bytes long.
 Data: < &#192; w&#247;           > 18 C0 1F 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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