Task 38679660

Name test_125-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND9807_0
Workunit 31621427
Created 26 Oct 2026, 21:17:33 UTC
Sent 26 Oct 2026, 21:17:41 UTC
Report deadline 31 Oct 2026, 21:17:41 UTC
Received 26 Oct 2026, 22:48:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 31 min 53 sec
CPU time 29 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.84 MB
Peak swap size 9.92 GB
Peak disk usage 4.12 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:17:51 (10680): wrapper (7.9.26016): starting
18:17:51 (10680): 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
18:17:52 (10680): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:17:52 (10680): 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\31\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\31\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
18:48:34 (10680): C:/Windows/system32/cmd.exe exited; CPU time 1795.203125
18:48:34 (10680): called boinc_finish(0)
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: 39262232 bytes.
Dumping objects ->
{3835291} normal block at 0x000002396F024CC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x000002396F024DA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000002396F024A20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x000002396F024010, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000002396F024C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x000002396F0197C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000023970F6B110, 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) : {3835202} normal block at 0x000002396F025FB0, 8 bytes long.
 Data: <  `o9   > 00 00 60 6F 39 02 00 00 
{3834578} normal block at 0x0000023970F6A350, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002396F025970, 8 bytes long.
 Data: <@&#192;&#252;n9   > 40 C0 FC 6E 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002396EFF01D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002396EFD68F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002396F025B00, 16 bytes long.
 Data: <&#184;T o9           > B8 54 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002396F026280, 16 bytes long.
 Data: < T o9           > 90 54 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002396F01CFF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002396F0258D0, 16 bytes long.
 Data: <hT o9           > 68 54 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002396F025F60, 16 bytes long.
 Data: <@T o9           > 40 54 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002396F0256F0, 16 bytes long.
 Data: < T o9           > 18 54 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002396F020310, 16 bytes long.
 Data: <&#240;S o9           > F0 53 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002396F024A90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002396F01FF50, 16 bytes long.
 Data: <xP o9           > 78 50 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002396F01CD50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002396F01FDC0, 16 bytes long.
 Data: <PP o9           > 50 50 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002396F020270, 16 bytes long.
 Data: <(P o9           > 28 50 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002396F020400, 16 bytes long.
 Data: < P o9           > 00 50 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002396F020220, 16 bytes long.
 Data: <&#216;O o9           > D8 4F 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002396F01FCD0, 16 bytes long.
 Data: <&#176;O o9           > B0 4F 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002396F01FC80, 16 bytes long.
 Data: < O o9           > 88 4F 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002396F01DBF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002396F0203B0, 16 bytes long.
 Data: <`O o9           > 60 4F 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002396F024F60, 320 bytes long.
 Data: <&#176;  o9   &#240;&#219; o9   > B0 03 02 6F 39 02 00 00 F0 DB 01 6F 39 02 00 00 
{281} normal block at 0x000002396F01FC30, 16 bytes long.
 Data: <&#208;S o9           > D0 53 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002396F0201D0, 16 bytes long.
 Data: <&#168;S o9           > A8 53 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002396F01DB90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002396F01F9B0, 16 bytes long.
 Data: < S o9           > 80 53 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002396F01D6B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002396F01F960, 16 bytes long.
 Data: <&#200;R o9           > C8 52 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002396F01F6E0, 16 bytes long.
 Data: <&#160;R o9           > A0 52 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002396F01F640, 16 bytes long.
 Data: <xR o9           > 78 52 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002396F01F910, 16 bytes long.
 Data: <PR o9           > 50 52 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002396F01F5A0, 16 bytes long.
 Data: <(R o9           > 28 52 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002396F01F8C0, 16 bytes long.
 Data: < R o9           > 00 52 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002396F01F550, 16 bytes long.
 Data: <pD o9           > 70 44 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002396F024470, 40 bytes long.
 Data: <P&#245; o9   &#192;&#151; o9   > 50 F5 01 6F 39 02 00 00 C0 97 01 6F 39 02 00 00 
{267} normal block at 0x000002396F01FB40, 16 bytes long.
 Data: <&#224;Q o9           > E0 51 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002396F01F7D0, 16 bytes long.
 Data: <&#184;Q o9           > B8 51 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002396F01D410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002396F0204A0, 16 bytes long.
 Data: < Q o9           > 90 51 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002396F025190, 992 bytes long.
 Data: <&#160;  o9    &#212; o9   > A0 04 02 6F 39 02 00 00 10 D4 01 6F 39 02 00 00 
{99} normal block at 0x000002396F01DA10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002396F01FD70, 16 bytes long.
 Data: <pK o9           > 70 4B 02 6F 39 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002396F024B70, 40 bytes long.
 Data: <p&#253; o9    &#218; o9   > 70 FD 01 6F 39 02 00 00 10 DA 01 6F 39 02 00 00 
{76} normal block at 0x000002396F01F870, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002396F01F820, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002396F020360, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002396F020040, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002396F01FAF0, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002396F01FEB0, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002396F01FFA0, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002396F01FF00, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002396F01FD20, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002396F020130, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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