Task 38679335

Name test_729-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7950_0
Workunit 31621111
Created 26 Oct 2026, 20:12:49 UTC
Sent 26 Oct 2026, 20:12:50 UTC
Report deadline 31 Oct 2026, 20:12:50 UTC
Received 26 Oct 2026, 21:31:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 31 min 30 sec
CPU time 31 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.21 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:55:34 (17332): wrapper (7.9.26016): starting
22:55:34 (17332): 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
22:55:35 (17332): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:55:36 (17332): 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\24\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\24\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
23:31:20 (17332): C:/Windows/system32/cmd.exe exited; CPU time 1881.312500
23:31:20 (17332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 29887847 bytes.
Dumping objects ->
{3835255} normal block at 0x00000265FF197C10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x00000265FF197970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000265FF197580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x00000265FF197820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000265FF197AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x00000265FF9C0D50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x00000265FFA0FBE0, 180 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) : {3835166} normal block at 0x00000265FF165D20, 8 bytes long.
 Data: <   &#255;e   > 00 00 11 FF 65 02 00 00 
{3834558} normal block at 0x00000265FFA0FEB0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000265FF165960, 8 bytes long.
 Data: <0&#229;$&#255;e   > 30 E5 24 FF 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000265FF1725C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000265FF173640, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000265FF1743C0, 16 bytes long.
 Data: <&#216;K &#255;e           > D8 4B 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000265FF173A60, 16 bytes long.
 Data: <&#176;K &#255;e           > B0 4B 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000265FF16A710, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000265FF173A10, 16 bytes long.
 Data: < K &#255;e           > 88 4B 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000265FF1739C0, 16 bytes long.
 Data: <`K &#255;e           > 60 4B 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000265FF173F10, 16 bytes long.
 Data: <8K &#255;e           > 38 4B 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000265FF173C40, 16 bytes long.
 Data: < K &#255;e           > 10 4B 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000265FF1681B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000265FF1745F0, 16 bytes long.
 Data: <&#216;5 &#255;e           > D8 35 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000265FF16A290, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000265FF173E20, 16 bytes long.
 Data: <&#176;5 &#255;e           > B0 35 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000265FF174410, 16 bytes long.
 Data: < 5 &#255;e           > 88 35 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000265FF1745A0, 16 bytes long.
 Data: <`5 &#255;e           > 60 35 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000265FF173970, 16 bytes long.
 Data: <85 &#255;e           > 38 35 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000265FF174370, 16 bytes long.
 Data: < 5 &#255;e           > 10 35 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000265FF173C90, 16 bytes long.
 Data: <&#232;4 &#255;e           > E8 34 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000265FF16A590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000265FF173FB0, 16 bytes long.
 Data: <&#192;4 &#255;e           > C0 34 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000265FF1734C0, 320 bytes long.
 Data: <&#176;? &#255;e   &#144;&#165; &#255;e   > B0 3F 17 FF 65 02 00 00 90 A5 16 FF 65 02 00 00 
{273} normal block at 0x00000265FF173BA0, 16 bytes long.
 Data: <&#240;J &#255;e           > F0 4A 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000265FF174320, 16 bytes long.
 Data: <&#200;J &#255;e           > C8 4A 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000265FF16A770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000265FF1742D0, 16 bytes long.
 Data: <&#160;J &#255;e           > A0 4A 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000265FF169DB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000265FF173920, 16 bytes long.
 Data: <&#232;I &#255;e           > E8 49 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000265FF1738D0, 16 bytes long.
 Data: <&#192;I &#255;e           > C0 49 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000265FF1741E0, 16 bytes long.
 Data: < I &#255;e           > 98 49 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000265FF173BF0, 16 bytes long.
 Data: <pI &#255;e           > 70 49 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000265FF173880, 16 bytes long.
 Data: <HI &#255;e           > 48 49 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000265FF174050, 16 bytes long.
 Data: < I &#255;e           > 20 49 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000265FF173B00, 16 bytes long.
 Data: < &#131; &#255;e           > 00 83 16 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000265FF168300, 40 bytes long.
 Data: < ; &#255;e   P &#156;&#255;e   > 00 3B 17 FF 65 02 00 00 50 0D 9C FF 65 02 00 00 
{259} normal block at 0x00000265FF1744B0, 16 bytes long.
 Data: < I &#255;e           > 00 49 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000265FF1740A0, 16 bytes long.
 Data: <&#216;H &#255;e           > D8 48 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000265FF169F90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000265FF174500, 16 bytes long.
 Data: <&#176;H &#255;e           > B0 48 17 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000265FF1748B0, 992 bytes long.
 Data: < E &#255;e   &#144;&#159; &#255;e   > 00 45 17 FF 65 02 00 00 90 9F 16 FF 65 02 00 00 
{91} normal block at 0x00000265FF16A9B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000265FF165DC0, 16 bytes long.
 Data: <&#224;&#131; &#255;e           > E0 83 16 FF 65 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000265FF1683E0, 40 bytes long.
 Data: <&#192;] &#255;e   &#176;&#169; &#255;e   > C0 5D 16 FF 65 02 00 00 B0 A9 16 FF 65 02 00 00 
{68} normal block at 0x00000265FF166180, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000265FF166360, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000265FF1664A0, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000265FF165D70, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000265FF165B90, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000265FF165910, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000265FF166220, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000265FF166040, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000265FF1664F0, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000265FF166130, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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