Task 38662344

Name test_1484-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND4719_0
Workunit 31605606
Created 24 Oct 2026, 18:48:18 UTC
Sent 24 Oct 2026, 18:48:26 UTC
Report deadline 29 Oct 2026, 18:48:26 UTC
Received 24 Oct 2026, 20:45:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 20 min 2 sec
CPU time 20 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.61 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:01:56 (656): wrapper (7.9.26016): starting
16:01:56 (656): 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
16:01:57 (656): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:01:57 (656): 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\33\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\33\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
16:22:07 (656): C:/Windows/system32/cmd.exe exited; CPU time 1202.375000
16:22:07 (656): called boinc_finish(0)
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: 29561471 bytes.
Dumping objects ->
{3835439} normal block at 0x000001B06904D730, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835428} normal block at 0x000001B0673F59F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x000001B0673F5830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835406} normal block at 0x000001B0673F57C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x000001B0673F56E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835364} normal block at 0x000001B0690978C0, 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) : {3835351} normal block at 0x000001B0673F0210, 8 bytes long.
 Data: <  7g&#176;   > 00 00 37 67 B0 01 00 00 
{3833967} normal block at 0x000001B0673F09E0, 8 bytes long.
 Data: < D i&#176;   > 90 44 0F 69 B0 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001B0673F2800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001B0673E7280, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001B0673F6A60, 16 bytes long.
 Data: <Xr?g&#176;           > 58 72 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B0673F6D80, 16 bytes long.
 Data: <0r?g&#176;           > 30 72 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B0673EE140, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001B0673F62E0, 16 bytes long.
 Data: < r?g&#176;           > 08 72 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B0673F6B00, 16 bytes long.
 Data: <&#224;q?g&#176;           > E0 71 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B0673F6AB0, 16 bytes long.
 Data: <&#184;q?g&#176;           > B8 71 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B0673F6A10, 16 bytes long.
 Data: < q?g&#176;           > 90 71 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B0673F5360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001B0673F5F70, 16 bytes long.
 Data: <8&#247;>g&#176;           > 38 F7 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B0673EDF60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001B0673F6100, 16 bytes long.
 Data: < &#247;>g&#176;           > 10 F7 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B0673F6420, 16 bytes long.
 Data: <&#232;&#246;>g&#176;           > E8 F6 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B0673F6600, 16 bytes long.
 Data: <&#192;&#246;>g&#176;           > C0 F6 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B0673F6E20, 16 bytes long.
 Data: < &#246;>g&#176;           > 98 F6 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B0673F6DD0, 16 bytes long.
 Data: <p&#246;>g&#176;           > 70 F6 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B0673F66F0, 16 bytes long.
 Data: <H&#246;>g&#176;           > 48 F6 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B0673EE500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001B0673F6CE0, 16 bytes long.
 Data: < &#246;>g&#176;           > 20 F6 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B0673EF620, 320 bytes long.
 Data: <&#224;l?g&#176;    &#229;>g&#176;   > E0 6C 3F 67 B0 01 00 00 00 E5 3E 67 B0 01 00 00 
{279} normal block at 0x000001B0673F63D0, 16 bytes long.
 Data: <pq?g&#176;           > 70 71 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B0673F6970, 16 bytes long.
 Data: <Hq?g&#176;           > 48 71 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B0673EDDE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001B0673F6BA0, 16 bytes long.
 Data: < q?g&#176;           > 20 71 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B0673EDF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001B0673F61F0, 16 bytes long.
 Data: <hp?g&#176;           > 68 70 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B0673F6C90, 16 bytes long.
 Data: <@p?g&#176;           > 40 70 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B0673F6EC0, 16 bytes long.
 Data: < p?g&#176;           > 18 70 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B0673F6560, 16 bytes long.
 Data: <&#240;o?g&#176;           > F0 6F 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B0673F6290, 16 bytes long.
 Data: <&#200;o?g&#176;           > C8 6F 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B0673F60B0, 16 bytes long.
 Data: <&#160;o?g&#176;           > A0 6F 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B0673F6380, 16 bytes long.
 Data: < U?g&#176;           > 20 55 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B0673F5520, 40 bytes long.
 Data: < c?g&#176;   &#192;x	i&#176;   > 80 63 3F 67 B0 01 00 00 C0 78 09 69 B0 01 00 00 
{265} normal block at 0x000001B0673F6240, 16 bytes long.
 Data: < o?g&#176;           > 80 6F 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B0673F6B50, 16 bytes long.
 Data: <Xo?g&#176;           > 58 6F 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B0673EE560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001B0673F6790, 16 bytes long.
 Data: <0o?g&#176;           > 30 6F 3F 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B0673F6F30, 992 bytes long.
 Data: < g?g&#176;   `&#229;>g&#176;   > 90 67 3F 67 B0 01 00 00 60 E5 3E 67 B0 01 00 00 
{97} normal block at 0x000001B0673EE4A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001B0673EFF40, 16 bytes long.
 Data: <&#176;P>g&#176;           > B0 50 3E 67 B0 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001B0673E50B0, 40 bytes long.
 Data: <@&#255;>g&#176;   &#160;&#228;>g&#176;   > 40 FF 3E 67 B0 01 00 00 A0 E4 3E 67 B0 01 00 00 
{74} normal block at 0x000001B0673F0AD0, 16 bytes long.
 Data: < &#234;)C&#247;           > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001B0673F0170, 16 bytes long.
 Data: <@&#233;)C&#247;           > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B0673F0440, 16 bytes long.
 Data: <&#248;W&C&#247;           > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B0673F0760, 16 bytes long.
 Data: <&#216;W&C&#247;           > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B0673F0120, 16 bytes long.
 Data: <P &C&#247;           > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B0673F06C0, 16 bytes long.
 Data: <0 &C&#247;           > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B0673F0A80, 16 bytes long.
 Data: <&#224; &C&#247;           > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B0673EFC70, 16 bytes long.
 Data: <  &C&#247;           > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B0673EFCC0, 16 bytes long.
 Data: <p &C&#247;           > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B0673F0710, 16 bytes long.
 Data: < &#192;$C&#247;           > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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