Task 38608217

Name p38_A27_A31_r0_2-QUICO_ATM_OpenFF_p38-0-6-RND5503_0
Workunit 31561633
Created 14 Apr 2026, 15:13:00 UTC
Sent 14 Apr 2026, 15:26:19 UTC
Report deadline 19 Apr 2026, 15:26:19 UTC
Received 15 Apr 2026, 5:16:26 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 557874
Run time 3 hours 12 min 44 sec
CPU time 3 hours 12 min 44 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 11,157.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 572.91 MB
Peak swap size 3.67 GB
Peak disk usage 4.40 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
11:28:42 (70496): wrapper (7.9.26016): starting
11:28:42 (70496): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A31_0.pdb
QB_A27_A31_0.xml
QB_A27_A31.inpcrd
QB_A27_A31_input.yaml
QB_A27_A31.pdb
QB_A27_A31.prmtop
QB_A27_A31_sys.xml
run.bat
run.sh
11:28:43 (70496): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:28:43 (70496): 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) : {3835292} normal block at 0x0000015FF9CE87B0, 8 bytes long.
 Data: <    _   > 00 00 C5 F9 5F 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833988} normal block at 0x0000015FFB7E5A20, 1080 bytes long.
 Data: <        l       > EC CE 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000015FF9CF1E20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
12:18:43 (74424): wrapper (7.9.26016): starting
12:18:43 (74424): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
12:20:28 (49160): wrapper (7.9.26016): starting
12:20:28 (49160): 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) : {3849975} normal block at 0x00000253941E7BE0, 8 bytes long.
 Data: <    S   > 00 00 1A 94 53 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848671} normal block at 0x0000025395EB3580, 1080 bytes long.
 Data: <                > F4 FA 00 00 CD CD CD CD 88 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000253941F1910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
13:15:49 (65400): wrapper (7.9.26016): starting
13:15:49 (65400): 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) : {3849975} normal block at 0x00000224AAF57630, 8 bytes long.
 Data: <    $   > 00 00 F3 AA 24 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848671} normal block at 0x00000224AAF8B2A0, 1080 bytes long.
 Data: <                > 08 9C 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000224AAF61950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
23:19:59 (77040): wrapper (7.9.26016): starting
23:19:59 (77040): 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) : {3849975} normal block at 0x0000025D625182F0, 8 bytes long.
 Data: <  Nb]   > 00 00 4E 62 5D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848671} normal block at 0x0000025D625FEA00, 1080 bytes long.
 Data: <                > 14 13 01 00 CD CD CD CD A0 00 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000025D62523260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
00:06:33 (47232): wrapper (7.9.26016): starting
00:06:33 (47232): 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.
00:15:07 (47232): C:/Windows/system32/cmd.exe exited; CPU time 173.468750
00:15:07 (47232): app exit status: 0x16
00:15:07 (47232): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 9337315 bytes.
Dumping objects ->
{3850064} normal block at 0x000001D27EED12C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850053} normal block at 0x000001D27EED15D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850042} normal block at 0x000001D27EED08B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850031} normal block at 0x000001D27EED11E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850020} normal block at 0x000001D27EED0D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3849989} normal block at 0x000001D27F066030, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849978} normal block at 0x000001D27F07D6F0, 85 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) : {3849975} normal block at 0x000001D27D448CC0, 8 bytes long.
 Data: <  @}&#210;   > 00 00 40 7D D2 01 00 00 
{3849309} normal block at 0x000001D27F07C750, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3848672} normal block at 0x000001D27D4492B0, 8 bytes long.
 Data: < 9  &#210;   > 90 39 0C 7F D2 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001D27D452410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001D27D43E240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000001D27D453A40, 16 bytes long.
 Data: < [E}&#210;           > 98 5B 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001D27D453770, 16 bytes long.
 Data: <p[E}&#210;           > 70 5B 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001D27D44DA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000001D27D454260, 16 bytes long.
 Data: <H[E}&#210;           > 48 5B 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001D27D454210, 16 bytes long.
 Data: < [E}&#210;           > 20 5B 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001D27D4536D0, 16 bytes long.
 Data: <&#248;ZE}&#210;           > F8 5A 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001D27D4541C0, 16 bytes long.
 Data: <&#208;ZE}&#210;           > D0 5A 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001D27D44E150, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000001D27D453630, 16 bytes long.
 Data: <H&#196;C}&#210;           > 48 C4 43 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001D27D44D600, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000001D27D453DB0, 16 bytes long.
 Data: < &#196;C}&#210;           > 20 C4 43 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D27D454170, 16 bytes long.
 Data: <&#248;&#195;C}&#210;           > F8 C3 43 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D27D4539A0, 16 bytes long.
 Data: <&#208;&#195;C}&#210;           > D0 C3 43 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D27D453AE0, 16 bytes long.
 Data: <&#168;&#195;C}&#210;           > A8 C3 43 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D27D453CC0, 16 bytes long.
 Data: < &#195;C}&#210;           > 80 C3 43 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D27D453FE0, 16 bytes long.
 Data: <X&#195;C}&#210;           > 58 C3 43 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D27D44D240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000001D27D453A90, 16 bytes long.
 Data: <0&#195;C}&#210;           > 30 C3 43 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D27D43C330, 320 bytes long.
 Data: < :E}&#210;   @&#210;D}&#210;   > 90 3A 45 7D D2 01 00 00 40 D2 44 7D D2 01 00 00 
{290} normal block at 0x000001D27D4535E0, 16 bytes long.
 Data: <&#176;ZE}&#210;           > B0 5A 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D27D4540D0, 16 bytes long.
 Data: < ZE}&#210;           > 88 5A 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D27D44D9C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000001D27D4543F0, 16 bytes long.
 Data: <`ZE}&#210;           > 60 5A 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D27D44D420, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000001D27D454300, 16 bytes long.
 Data: <&#168;YE}&#210;           > A8 59 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D27D4534F0, 16 bytes long.
 Data: < YE}&#210;           > 80 59 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D27D453590, 16 bytes long.
 Data: <XYE}&#210;           > 58 59 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D27D453540, 16 bytes long.
 Data: <0YE}&#210;           > 30 59 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D27D4539F0, 16 bytes long.
 Data: < YE}&#210;           > 08 59 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D27D453EF0, 16 bytes long.
 Data: <&#224;XE}&#210;           > E0 58 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D27D454030, 16 bytes long.
 Data: < &#227;D}&#210;           > 80 E3 44 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D27D44E380, 40 bytes long.
 Data: <0@E}&#210;   0`  &#210;   > 30 40 45 7D D2 01 00 00 30 60 06 7F D2 01 00 00 
{276} normal block at 0x000001D27D454120, 16 bytes long.
 Data: <&#192;XE}&#210;           > C0 58 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D27D453D60, 16 bytes long.
 Data: < XE}&#210;           > 98 58 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D27D44DF60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000001D27D4537C0, 16 bytes long.
 Data: <pXE}&#210;           > 70 58 45 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D27D455870, 992 bytes long.
 Data: <&#192;7E}&#210;   `&#223;D}&#210;   > C0 37 45 7D D2 01 00 00 60 DF 44 7D D2 01 00 00 
{108} normal block at 0x000001D27D44DDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001D27D448EA0, 16 bytes long.
 Data: <&#192;&#225;D}&#210;           > C0 E1 44 7D D2 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001D27D44E1C0, 40 bytes long.
 Data: <&#160;&#142;D}&#210;   &#224;&#221;D}&#210;   > A0 8E 44 7D D2 01 00 00 E0 DD 44 7D D2 01 00 00 
{85} normal block at 0x000001D27D449260, 16 bytes long.
 Data: < &#234;&#224;&#241;&#247;           > 80 EA E0 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001D27D448AE0, 16 bytes long.
 Data: <@&#233;&#224;&#241;&#247;           > 40 E9 E0 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001D27D448400, 16 bytes long.
 Data: <&#248;W&#221;&#241;&#247;           > F8 57 DD F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001D27D448A90, 16 bytes long.
 Data: <&#216;W&#221;&#241;&#247;           > D8 57 DD F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001D27D448770, 16 bytes long.
 Data: <P &#221;&#241;&#247;           > 50 04 DD F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001D27D4490D0, 16 bytes long.
 Data: <0 &#221;&#241;&#247;           > 30 04 DD F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001D27D448DB0, 16 bytes long.
 Data: <&#224; &#221;&#241;&#247;           > E0 02 DD F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001D27D448BD0, 16 bytes long.
 Data: <  &#221;&#241;&#247;           > 10 04 DD F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001D27D448D60, 16 bytes long.
 Data: <p &#221;&#241;&#247;           > 70 04 DD F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001D27D4488B0, 16 bytes long.
 Data: < &#192;&#219;&#241;&#247;           > 18 C0 DB F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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