Task 38583782

Name PFKFB3_A03_A31_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-3-5-RND1898_0
Workunit 31547823
Created 14 Dec 2025, 16:46:20 UTC
Sent 14 Dec 2025, 16:46:26 UTC
Report deadline 19 Dec 2025, 16:46:26 UTC
Received 16 Dec 2025, 14:33:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 595996
Run time 10 hours 33 min 23 sec
CPU time 10 hours 17 min 3 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 11,364.56 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 781.54 MB
Peak swap size 7.00 GB
Peak disk usage 3.68 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
17:48:05 (15348): wrapper (7.9.26016): starting
17:48:05 (15348): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A31_0.pdb
QB_A03_A31_0.xml
QB_A03_A31_equil.pdb
QB_A03_A31.inpcrd
QB_A03_A31_input.yaml
QB_A03_A31_mdlambda.pdb
QB_A03_A31_min.pdb
QB_A03_A31_npt.pdb
QB_A03_A31.pdb
QB_A03_A31.prmtop
QB_A03_A31_sys.xml
QB_A03_A31_therm.pdb
run.bat
run.sh
17:48:07 (15348): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:48:07 (15348): 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 'D:\Programfiler\SETI_Data\slots\8\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 'D:\Programfiler\SETI_Data\slots\8\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.
15:52:52 (13872): wrapper (7.9.26016): starting
15:52:52 (13872): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\Programfiler\SETI_Data\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
21:54:35 (13872): C:/Windows/system32/cmd.exe exited; CPU time 20859.531250
21:54:35 (13872): app exit status: 0x40010004
21:54:35 (13872): called boinc_finish(195)
0 bytes in 0 Free Blocks.
272 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: 366864057 bytes.
Dumping objects ->
{3849964} normal block at 0x00000203E0FBDC90, 64 bytes long.
 Data: <PATH=D:\Programf> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 66 
{3849953} normal block at 0x00000203DE67E600, 48 bytes long.
 Data: <HOME=D:\Programf> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 66 
{3849942} normal block at 0x00000203DE67E210, 48 bytes long.
 Data: <TMP=D:\Programfi> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 66 69 
{3849931} normal block at 0x00000203DE67E590, 48 bytes long.
 Data: <TEMP=D:\Programf> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 66 
{3849920} normal block at 0x00000203DE67E9F0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3849889} normal block at 0x00000203E0FBCD90, 64 bytes long.
 Data: <PATH=D:\Programf> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 66 
..\api\boinc_api.cpp(309) : {3849876} normal block at 0x00000203DE649FF0, 8 bytes long.
 Data: <   &#222;    > 00 00 99 DE 03 02 00 00 
{3848654} normal block at 0x00000203DE64AC20, 8 bytes long.
 Data: <&#240;&#234;r&#222;    > F0 EA 72 DE 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000203DE646E30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000203DE6485F0, 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 0x00000203DE65B660, 16 bytes long.
 Data: <Hpe&#222;            > 48 70 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000203DE65B570, 16 bytes long.
 Data: < pe&#222;            > 20 70 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000203DE655450, 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 0x00000203DE65B340, 16 bytes long.
 Data: <&#248;oe&#222;            > F8 6F 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000203DE65B7F0, 16 bytes long.
 Data: <&#208;oe&#222;            > D0 6F 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000203DE65B070, 16 bytes long.
 Data: <&#168;oe&#222;            > A8 6F 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000203DE65B750, 16 bytes long.
 Data: < oe&#222;            > 80 6F 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000203DE6574C0, 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 0x00000203DE65ACB0, 16 bytes long.
 Data: < bd&#222;            > 88 62 64 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000203DE655330, 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 0x00000203DE65B4D0, 16 bytes long.
 Data: <`bd&#222;            > 60 62 64 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000203DE65AAD0, 16 bytes long.
 Data: <8bd&#222;            > 38 62 64 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000203DE65AE90, 16 bytes long.
 Data: < bd&#222;            > 10 62 64 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000203DE65ADF0, 16 bytes long.
 Data: <&#232;ad&#222;            > E8 61 64 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000203DE65B250, 16 bytes long.
 Data: <&#192;ad&#222;            > C0 61 64 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000203DE65B7A0, 16 bytes long.
 Data: < ad&#222;            > 98 61 64 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000203DE655870, 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 0x00000203DE65B2A0, 16 bytes long.
 Data: <pad&#222;            > 70 61 64 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000203DE646170, 320 bytes long.
 Data: <&#160;&#178;e&#222;    pXe&#222;    > A0 B2 65 DE 03 02 00 00 70 58 65 DE 03 02 00 00 
{281} normal block at 0x00000203DE65B200, 16 bytes long.
 Data: <`oe&#222;            > 60 6F 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000203DE65AA80, 16 bytes long.
 Data: <8oe&#222;            > 38 6F 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000203DE655570, 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 0x00000203DE65AC60, 16 bytes long.
 Data: < oe&#222;            > 10 6F 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000203DE655390, 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 0x00000203DE65B110, 16 bytes long.
 Data: <Xne&#222;            > 58 6E 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000203DE65AF80, 16 bytes long.
 Data: <0ne&#222;            > 30 6E 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000203DE65AF30, 16 bytes long.
 Data: < ne&#222;            > 08 6E 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000203DE65AC10, 16 bytes long.
 Data: <&#224;me&#222;            > E0 6D 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000203DE65ABC0, 16 bytes long.
 Data: <&#184;me&#222;            > B8 6D 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000203DE65AB20, 16 bytes long.
 Data: < me&#222;            > 90 6D 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000203DE65AB70, 16 bytes long.
 Data: <pse&#222;            > 70 73 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000203DE657370, 40 bytes long.
 Data: <p&#171;e&#222;     &#205;&#251;&#224;    > 70 AB 65 DE 03 02 00 00 90 CD FB E0 03 02 00 00 
{267} normal block at 0x00000203DE65B9D0, 16 bytes long.
 Data: <pme&#222;            > 70 6D 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000203DE65B1B0, 16 bytes long.
 Data: <Hme&#222;            > 48 6D 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000203DE655510, 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 0x00000203DE65B980, 16 bytes long.
 Data: < me&#222;            > 20 6D 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000203DE656D20, 992 bytes long.
 Data: < &#185;e&#222;     Ue&#222;    > 80 B9 65 DE 03 02 00 00 10 55 65 DE 03 02 00 00 
{99} normal block at 0x00000203DE655AB0, 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 0x00000203DE64ABD0, 16 bytes long.
 Data: <0ue&#222;            > 30 75 65 DE 03 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000203DE657530, 40 bytes long.
 Data: <&#208;&#171;d&#222;    &#176;Ze&#222;    > D0 AB 64 DE 03 02 00 00 B0 5A 65 DE 03 02 00 00 
{76} normal block at 0x00000203DE649F00, 16 bytes long.
 Data: < &#234;&#160;&#131;&#247;           > 80 EA A0 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000203DE64AB30, 16 bytes long.
 Data: <@&#233;&#160;&#131;&#247;           > 40 E9 A0 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000203DE649DC0, 16 bytes long.
 Data: <&#248;W &#131;&#247;           > F8 57 9D 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000203DE649FA0, 16 bytes long.
 Data: <&#216;W &#131;&#247;           > D8 57 9D 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000203DE64AB80, 16 bytes long.
 Data: <P  &#131;&#247;           > 50 04 9D 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000203DE64A770, 16 bytes long.
 Data: <0  &#131;&#247;           > 30 04 9D 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000203DE64A6D0, 16 bytes long.
 Data: <&#224;  &#131;&#247;           > E0 02 9D 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000203DE64A310, 16 bytes long.
 Data: <   &#131;&#247;           > 10 04 9D 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000203DE64A220, 16 bytes long.
 Data: <p  &#131;&#247;           > 70 04 9D 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000203DE649D70, 16 bytes long.
 Data: < &#192;&#155;&#131;&#247;           > 18 C0 9B 83 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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