Task 38685331

Name test_603-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8577_0
Workunit 31626802
Created 27 Oct 2026, 20:33:21 UTC
Sent 27 Oct 2026, 20:33:27 UTC
Report deadline 1 Nov 2026, 20:33:27 UTC
Received 27 Oct 2026, 20:55:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 51 sec
CPU time 18 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.75 MB
Peak swap size 13.06 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:34:42 (70300): wrapper (7.9.26016): starting
15:34:42 (70300): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
15:34:43 (70300): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:34:43 (70300): 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\32\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\32\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.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
15:55:27 (70300): C:/Windows/system32/cmd.exe exited; CPU time 1123.484375
15:55:27 (70300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 36070619 bytes.
Dumping objects ->
{3835311} normal block at 0x000002D6A96AA630, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000002D6A96AACC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000002D6A96AA4E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000002D6A96AB270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002D6A96AA390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000002D6A964DA00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002D6A96AE880, 102 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) : {3835222} normal block at 0x000002D6A78DEBE0, 8 bytes long.
 Data: <  &#207;&#167;&#214;   > 00 00 CF A7 D6 02 00 00 
{3834575} normal block at 0x000002D6A96AE7D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002D6A78DF310, 8 bytes long.
 Data: <&#160;Io&#169;&#214;   > A0 49 6F A9 D6 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002D6A78D6120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002D6A78D7B50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002D6A78E60A0, 16 bytes long.
 Data: <&#168;Z&#142;&#167;&#214;           > A8 5A 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002D6A78E5BF0, 16 bytes long.
 Data: < Z&#142;&#167;&#214;           > 80 5A 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002D6A78E0010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002D6A78E6820, 16 bytes long.
 Data: <XZ&#142;&#167;&#214;           > 58 5A 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002D6A78E6B40, 16 bytes long.
 Data: <0Z&#142;&#167;&#214;           > 30 5A 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D6A78E5FB0, 16 bytes long.
 Data: < Z&#142;&#167;&#214;           > 08 5A 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D6A78E6230, 16 bytes long.
 Data: <&#224;Y&#142;&#167;&#214;           > E0 59 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D6A78E3AA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002D6A78E68C0, 16 bytes long.
 Data: <&#232;&#251;&#140;&#167;&#214;           > E8 FB 8C A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D6A78E0AF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002D6A78E5F60, 16 bytes long.
 Data: <&#192;&#251;&#140;&#167;&#214;           > C0 FB 8C A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D6A78E6AF0, 16 bytes long.
 Data: < &#251;&#140;&#167;&#214;           > 98 FB 8C A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D6A78E5E70, 16 bytes long.
 Data: <p&#251;&#140;&#167;&#214;           > 70 FB 8C A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D6A78E6960, 16 bytes long.
 Data: <H&#251;&#140;&#167;&#214;           > 48 FB 8C A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D6A78E5D80, 16 bytes long.
 Data: < &#251;&#140;&#167;&#214;           > 20 FB 8C A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D6A78E5CE0, 16 bytes long.
 Data: <&#248;&#250;&#140;&#167;&#214;           > F8 FA 8C A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D6A78E0970, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002D6A78E62D0, 16 bytes long.
 Data: <&#208;&#250;&#140;&#167;&#214;           > D0 FA 8C A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D6A78CFAD0, 320 bytes long.
 Data: <&#208;b&#142;&#167;&#214;   p	&#142;&#167;&#214;   > D0 62 8E A7 D6 02 00 00 70 09 8E A7 D6 02 00 00 
{276} normal block at 0x000002D6A78E6A50, 16 bytes long.
 Data: <&#192;Y&#142;&#167;&#214;           > C0 59 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D6A78E6320, 16 bytes long.
 Data: < Y&#142;&#167;&#214;           > 98 59 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D6A78E0CD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002D6A78E6910, 16 bytes long.
 Data: <pY&#142;&#167;&#214;           > 70 59 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D6A78E05B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002D6A78E6550, 16 bytes long.
 Data: <&#184;X&#142;&#167;&#214;           > B8 58 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D6A78E5F10, 16 bytes long.
 Data: < X&#142;&#167;&#214;           > 90 58 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D6A78E5C90, 16 bytes long.
 Data: <hX&#142;&#167;&#214;           > 68 58 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D6A78E6370, 16 bytes long.
 Data: <@X&#142;&#167;&#214;           > 40 58 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D6A78E6AA0, 16 bytes long.
 Data: < X&#142;&#167;&#214;           > 18 58 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D6A78DE960, 16 bytes long.
 Data: <&#240;W&#142;&#167;&#214;           > F0 57 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D6A78DE8C0, 16 bytes long.
 Data: <&#192;9&#142;&#167;&#214;           > C0 39 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D6A78E39C0, 40 bytes long.
 Data: <&#192;&#232; &#167;&#214;    &#218;d&#169;&#214;   > C0 E8 8D A7 D6 02 00 00 00 DA 64 A9 D6 02 00 00 
{262} normal block at 0x000002D6A78DE870, 16 bytes long.
 Data: <&#208;W&#142;&#167;&#214;           > D0 57 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D6A78DE820, 16 bytes long.
 Data: <&#168;W&#142;&#167;&#214;           > A8 57 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D6A78E0190, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002D6A78DE6E0, 16 bytes long.
 Data: < W&#142;&#167;&#214;           > 80 57 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D6A78E5780, 992 bytes long.
 Data: <&#224;&#230; &#167;&#214;     &#142;&#167;&#214;   > E0 E6 8D A7 D6 02 00 00 90 01 8E A7 D6 02 00 00 
{94} normal block at 0x000002D6A78E0850, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002D6A78DF1D0, 16 bytes long.
 Data: < ;&#142;&#167;&#214;           > 80 3B 8E A7 D6 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002D6A78E3B80, 40 bytes long.
 Data: <&#208;&#241; &#167;&#214;   P &#142;&#167;&#214;   > D0 F1 8D A7 D6 02 00 00 50 08 8E A7 D6 02 00 00 
{71} normal block at 0x000002D6A78DE500, 16 bytes long.
 Data: < &#234;2B&#247;           > 80 EA 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002D6A78DEF50, 16 bytes long.
 Data: <@&#233;2B&#247;           > 40 E9 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002D6A78DEB90, 16 bytes long.
 Data: <&#248;W/B&#247;           > F8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D6A78DEB40, 16 bytes long.
 Data: <&#216;W/B&#247;           > D8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D6A78DF2C0, 16 bytes long.
 Data: <P /B&#247;           > 50 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D6A78DEA00, 16 bytes long.
 Data: <0 /B&#247;           > 30 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D6A78DEA50, 16 bytes long.
 Data: <&#224; /B&#247;           > E0 02 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D6A78DEAF0, 16 bytes long.
 Data: <  /B&#247;           > 10 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D6A78DEE10, 16 bytes long.
 Data: <p /B&#247;           > 70 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D6A78DF270, 16 bytes long.
 Data: < &#192;-B&#247;           > 18 C0 2D 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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