Task 38582734

Name PFKFB3_A12_A18_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND5507_0
Workunit 31546999
Created 13 Dec 2025, 10:44:20 UTC
Sent 13 Dec 2025, 10:44:24 UTC
Report deadline 18 Dec 2025, 10:44:24 UTC
Received 13 Dec 2025, 22:37:51 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 642394
Run time 7 hours 23 min 17 sec
CPU time 7 hours 21 min 25 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,466.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.04 MB
Peak swap size 9.86 GB
Peak disk usage 3.58 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>
22:59:08 (12440): wrapper (7.9.26016): starting
22:59:08 (12440): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A18_0.pdb
QB_A12_A18_0.xml
QB_A12_A18_equil.pdb
QB_A12_A18.inpcrd
QB_A12_A18_input.yaml
QB_A12_A18_mdlambda.pdb
QB_A12_A18_min.pdb
QB_A12_A18_npt.pdb
QB_A12_A18.pdb
QB_A12_A18.prmtop
QB_A12_A18_sys.xml
QB_A12_A18_therm.pdb
run.bat
run.sh
22:59:28 (12440): Library/usr/bin/tar.exe exited; CPU time 0.093750
22:59:28 (12440): 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) : {3835199} normal block at 0x0000020AA00DE540, 8 bytes long.
 Data: <        > 00 00 0A A0 0A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x0000020AA1D9EB80, 1080 bytes long.
 Data: <                > 08 14 00 00 CD CD CD CD 14 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000020AA00D2910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
02:52:09 (19652): wrapper (7.9.26016): starting
02:52:09 (19652): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849882} normal block at 0x000001DBD30CE3E0, 8 bytes long.
 Data: <        > 00 00 08 D3 DB 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848653} normal block at 0x000001DBD4EC48A0, 1080 bytes long.
 Data: <4O              > 34 4F 00 00 CD CD CD CD F8 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001DBD30C21B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
08:57:15 (20772): wrapper (7.9.26016): starting
08:57:15 (20772): 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.
09:35:59 (20772): C:/Windows/system32/cmd.exe exited; CPU time 2282.562500
09:35:59 (20772): app exit status: 0x16
09:35:59 (20772): 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: 39104092 bytes.
Dumping objects ->
{3849970} normal block at 0x000001A41E2176E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849959} normal block at 0x000001A41E217590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849948} normal block at 0x000001A41C347670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3849937} normal block at 0x000001A41C347600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849926} normal block at 0x000001A41C347C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3849895} normal block at 0x000001A41E1B8760, 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) : {3849882} normal block at 0x000001A41C33EA40, 8 bytes long.
 Data: <  &#130; &#164;   > 00 00 82 1C A4 01 00 00 
{3848654} normal block at 0x000001A41C33F080, 8 bytes long.
 Data: <P&#221;2 &#164;   > 50 DD 32 1C A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001A41C331DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001A41C333900, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001A41C348250, 16 bytes long.
 Data: <  4 &#164;           > 88 90 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A41C3480C0, 16 bytes long.
 Data: <` 4 &#164;           > 60 90 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A41C341900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001A41C348BB0, 16 bytes long.
 Data: <8 4 &#164;           > 38 90 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A41C348A20, 16 bytes long.
 Data: <  4 &#164;           > 10 90 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A41C348020, 16 bytes long.
 Data: <&#232; 4 &#164;           > E8 8F 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A41C347F80, 16 bytes long.
 Data: <&#192; 4 &#164;           > C0 8F 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A41C347980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001A41C3489D0, 16 bytes long.
 Data: < &#187;2 &#164;           > 08 BB 32 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A41C3410C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001A41C3482F0, 16 bytes long.
 Data: <&#224;&#186;2 &#164;           > E0 BA 32 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A41C348930, 16 bytes long.
 Data: <&#184;&#186;2 &#164;           > B8 BA 32 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A41C348C00, 16 bytes long.
 Data: < &#186;2 &#164;           > 90 BA 32 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A41C348C50, 16 bytes long.
 Data: <h&#186;2 &#164;           > 68 BA 32 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A41C3488E0, 16 bytes long.
 Data: <@&#186;2 &#164;           > 40 BA 32 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A41C348070, 16 bytes long.
 Data: < &#186;2 &#164;           > 18 BA 32 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A41C3416C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001A41C348890, 16 bytes long.
 Data: <&#240;&#185;2 &#164;           > F0 B9 32 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A41C32B9F0, 320 bytes long.
 Data: <  4 &#164;   &#192; 4 &#164;   > 90 88 34 1C A4 01 00 00 C0 16 34 1C A4 01 00 00 
{281} normal block at 0x000001A41C347E90, 16 bytes long.
 Data: <&#160; 4 &#164;           > A0 8F 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A41C348750, 16 bytes long.
 Data: <x 4 &#164;           > 78 8F 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A41C341780, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001A41C348840, 16 bytes long.
 Data: <P 4 &#164;           > 50 8F 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A41C3418A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001A41C348700, 16 bytes long.
 Data: < &#142;4 &#164;           > 98 8E 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A41C348390, 16 bytes long.
 Data: <p&#142;4 &#164;           > 70 8E 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A41C348610, 16 bytes long.
 Data: <H&#142;4 &#164;           > 48 8E 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A41C3485C0, 16 bytes long.
 Data: < &#142;4 &#164;           > 20 8E 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A41C347F30, 16 bytes long.
 Data: <&#248; 4 &#164;           > F8 8D 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A41C348A70, 16 bytes long.
 Data: <&#208; 4 &#164;           > D0 8D 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A41C3486B0, 16 bytes long.
 Data: < |4 &#164;           > 20 7C 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A41C347C20, 40 bytes long.
 Data: <&#176;&#134;4 &#164;   `&#135;  &#164;   > B0 86 34 1C A4 01 00 00 60 87 1B 1E A4 01 00 00 
{267} normal block at 0x000001A41C347EE0, 16 bytes long.
 Data: <&#176; 4 &#164;           > B0 8D 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A41C347E40, 16 bytes long.
 Data: <  4 &#164;           > 88 8D 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A41C3417E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001A41C3487F0, 16 bytes long.
 Data: <` 4 &#164;           > 60 8D 34 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A41C348D60, 992 bytes long.
 Data: <&#240;&#135;4 &#164;   &#224; 4 &#164;   > F0 87 34 1C A4 01 00 00 E0 17 34 1C A4 01 00 00 
{99} normal block at 0x000001A41C340F40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001A41C33E9F0, 16 bytes long.
 Data: <&#176; 3 &#164;           > B0 13 33 1C A4 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001A41C3313B0, 40 bytes long.
 Data: <&#240;&#233;3 &#164;   @ 4 &#164;   > F0 E9 33 1C A4 01 00 00 40 0F 34 1C A4 01 00 00 
{76} normal block at 0x000001A41C33F620, 16 bytes long.
 Data: < &#234;&#253;&#177;&#247;           > 80 EA FD B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001A41C33EE00, 16 bytes long.
 Data: <@&#233;&#253;&#177;&#247;           > 40 E9 FD B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001A41C33ED10, 16 bytes long.
 Data: <&#248;W&#250;&#177;&#247;           > F8 57 FA B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A41C33EB80, 16 bytes long.
 Data: <&#216;W&#250;&#177;&#247;           > D8 57 FA B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A41C33F030, 16 bytes long.
 Data: <P &#250;&#177;&#247;           > 50 04 FA B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A41C33F5D0, 16 bytes long.
 Data: <0 &#250;&#177;&#247;           > 30 04 FA B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A41C33E900, 16 bytes long.
 Data: <&#224; &#250;&#177;&#247;           > E0 02 FA B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A41C33F1C0, 16 bytes long.
 Data: <  &#250;&#177;&#247;           > 10 04 FA B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A41C33F3A0, 16 bytes long.
 Data: <p &#250;&#177;&#247;           > 70 04 FA B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A41C33F580, 16 bytes long.
 Data: < &#192;&#248;&#177;&#247;           > 18 C0 F8 B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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