Task 38660829

Name test_726-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND1953_2
Workunit 31604014
Created 24 Oct 2026, 14:47:45 UTC
Sent 24 Oct 2026, 14:55:23 UTC
Report deadline 29 Oct 2026, 14:55:23 UTC
Received 24 Oct 2026, 21:23:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 30 min 59 sec
CPU time 27 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.63 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:17:29 (9056): wrapper (7.9.26016): starting
12:17:29 (9056): 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
12:17:30 (9056): Library/usr/bin/tar.exe exited; CPU time 0.031250
12:17:30 (9056): 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\21\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\21\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
12:46:55 (9056): C:/Windows/system32/cmd.exe exited; CPU time 1644.046875
12:46:55 (9056): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 34658879 bytes.
Dumping objects ->
{3835236} normal block at 0x0000022A64994CF0, 48 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 0x0000022A64994C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000022A64994C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000022A64994AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000022A64994A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000022A66696C80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000022A666AE730, 103 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) : {3835147} normal block at 0x0000022A6498F740, 8 bytes long.
 Data: <  &#148;d*   > 00 00 94 64 2A 02 00 00 
{3834543} normal block at 0x0000022A666AF0D0, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000022A6498F0B0, 8 bytes long.
 Data: <`&#130;hf*   > 60 82 68 66 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000022A64991530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022A64986940, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000022A64996470, 16 bytes long.
 Data: <Hi d*           > 48 69 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022A64996330, 16 bytes long.
 Data: < i d*           > 20 69 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022A6498FB80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000022A64995A20, 16 bytes long.
 Data: <&#248;h d*           > F8 68 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022A649962E0, 16 bytes long.
 Data: <&#208;h d*           > D0 68 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022A64995FC0, 16 bytes long.
 Data: <&#168;h d*           > A8 68 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022A649958E0, 16 bytes long.
 Data: < h d*           > 80 68 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022A64994D60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000022A64995ED0, 16 bytes long.
 Data: <X&#232; d*           > 58 E8 98 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022A64990360, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000022A64995930, 16 bytes long.
 Data: <0&#232; d*           > 30 E8 98 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A64995F70, 16 bytes long.
 Data: < &#232; d*           > 08 E8 98 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A64995CA0, 16 bytes long.
 Data: <&#224;&#231; d*           > E0 E7 98 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A64995AC0, 16 bytes long.
 Data: <&#184;&#231; d*           > B8 E7 98 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A64995A70, 16 bytes long.
 Data: < &#231; d*           > 90 E7 98 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022A64996290, 16 bytes long.
 Data: <h&#231; d*           > 68 E7 98 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022A6498FB20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000022A64996150, 16 bytes long.
 Data: <@&#231; d*           > 40 E7 98 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022A6498E740, 320 bytes long.
 Data: <Pa d*    &#251; d*   > 50 61 99 64 2A 02 00 00 20 FB 98 64 2A 02 00 00 
{275} normal block at 0x0000022A649961F0, 16 bytes long.
 Data: <`h d*           > 60 68 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A64996100, 16 bytes long.
 Data: <8h d*           > 38 68 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022A6498FE20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000022A64996510, 16 bytes long.
 Data: < h d*           > 10 68 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022A649902A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000022A64996060, 16 bytes long.
 Data: <Xg d*           > 58 67 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A649959D0, 16 bytes long.
 Data: <0g d*           > 30 67 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A649965B0, 16 bytes long.
 Data: < g d*           > 08 67 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A64995C00, 16 bytes long.
 Data: <&#224;f d*           > E0 66 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A64995D40, 16 bytes long.
 Data: <&#184;f d*           > B8 66 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022A64996240, 16 bytes long.
 Data: < f d*           > 90 66 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A64995C50, 16 bytes long.
 Data: <0K d*           > 30 4B 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022A64994B30, 40 bytes long.
 Data: <P\ d*    lif*   > 50 5C 99 64 2A 02 00 00 80 6C 69 66 2A 02 00 00 
{261} normal block at 0x0000022A64995890, 16 bytes long.
 Data: <pf d*           > 70 66 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A64996380, 16 bytes long.
 Data: <Hf d*           > 48 66 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022A6498FD00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000022A64996420, 16 bytes long.
 Data: < f d*           > 20 66 99 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022A64996620, 992 bytes long.
 Data: < d d*    &#253; d*   > 20 64 99 64 2A 02 00 00 00 FD 98 64 2A 02 00 00 
{93} normal block at 0x0000022A6498FF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000022A6498EE30, 16 bytes long.
 Data: <&#240;&#221;&#151;d*           > F0 DD 97 64 2A 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000022A6497DDF0, 40 bytes long.
 Data: <0&#238; d*   @&#255; d*   > 30 EE 98 64 2A 02 00 00 40 FF 98 64 2A 02 00 00 
{70} normal block at 0x0000022A6498EC50, 16 bytes long.
 Data: < &#234;hc&#246;           > 80 EA 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A6498F1A0, 16 bytes long.
 Data: <@&#233;hc&#246;           > 40 E9 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A6498F6F0, 16 bytes long.
 Data: <&#248;Wec&#246;           > F8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A6498F5B0, 16 bytes long.
 Data: <&#216;Wec&#246;           > D8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A6498EB60, 16 bytes long.
 Data: <P ec&#246;           > 50 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A6498F2E0, 16 bytes long.
 Data: <0 ec&#246;           > 30 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A6498EBB0, 16 bytes long.
 Data: <&#224; ec&#246;           > E0 02 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A6498F6A0, 16 bytes long.
 Data: <  ec&#246;           > 10 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022A6498F560, 16 bytes long.
 Data: <p ec&#246;           > 70 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022A6498F650, 16 bytes long.
 Data: < &#192;cc&#246;           > 18 C0 63 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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