Task 38686497

Name test_377-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4920_0
Workunit 31627928
Created 28 Oct 2026, 2:54:58 UTC
Sent 28 Oct 2026, 2:55:04 UTC
Report deadline 2 Nov 2026, 2:55:04 UTC
Received 28 Oct 2026, 4:17:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 20 min 43 sec
CPU time 19 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.42 MB
Peak swap size 9.95 GB
Peak disk usage 4.12 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:57:00 (60268): wrapper (7.9.26016): starting
22:57:00 (60268): 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
22:57:01 (60268): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:57:01 (60268): 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\0\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\0\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
23:16:48 (60268): C:/Windows/system32/cmd.exe exited; CPU time 1182.140625
23:16:48 (60268): 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: 30375293 bytes.
Dumping objects ->
{3835236} normal block at 0x0000020596590A00, 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 0x00000205965915D0, 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 0x0000020596591560, 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 0x0000020596591100, 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 0x0000020596590D10, 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 0x00000205966D48C0, 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 0x00000205966EF680, 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) : {3835147} normal block at 0x00000205948DE1D0, 8 bytes long.
 Data: <  &#238;&#148;    > 00 00 EE 94 05 02 00 00 
{3834547} normal block at 0x00000205966EF7E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000205948DDFA0, 8 bytes long.
 Data: <&#192;&#187; &#148;    > C0 BB 90 94 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000205948E2B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000205948D3B40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000205948E6660, 16 bytes long.
 Data: <&#216;p&#142;&#148;            > D8 70 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000205948E6570, 16 bytes long.
 Data: <&#176;p&#142;&#148;            > B0 70 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000205948E03F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000205948E61B0, 16 bytes long.
 Data: < p&#142;&#148;            > 88 70 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000205948E5E90, 16 bytes long.
 Data: <`p&#142;&#148;            > 60 70 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000205948E6480, 16 bytes long.
 Data: <8p&#142;&#148;            > 38 70 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000205948E6160, 16 bytes long.
 Data: < p&#142;&#148;            > 10 70 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000205948E0C30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000205948E63E0, 16 bytes long.
 Data: <&#216;&#149; &#148;            > D8 95 8D 94 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000205948E0030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000205948E6110, 16 bytes long.
 Data: <&#176;&#149; &#148;            > B0 95 8D 94 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000205948E6C50, 16 bytes long.
 Data: < &#149; &#148;            > 88 95 8D 94 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000205948E6C00, 16 bytes long.
 Data: <`&#149; &#148;            > 60 95 8D 94 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000205948E6980, 16 bytes long.
 Data: <8&#149; &#148;            > 38 95 8D 94 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000205948E6390, 16 bytes long.
 Data: < &#149; &#148;            > 10 95 8D 94 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000205948E5EE0, 16 bytes long.
 Data: <&#232;&#148; &#148;            > E8 94 8D 94 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000205948DF9D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000205948E6610, 16 bytes long.
 Data: <&#192;&#148; &#148;            > C0 94 8D 94 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000205948D94C0, 320 bytes long.
 Data: < f&#142;&#148;    &#208;&#249; &#148;    > 10 66 8E 94 05 02 00 00 D0 F9 8D 94 05 02 00 00 
{280} normal block at 0x00000205948E5DF0, 16 bytes long.
 Data: <&#240;o&#142;&#148;            > F0 6F 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000205948E6070, 16 bytes long.
 Data: <&#200;o&#142;&#148;            > C8 6F 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000205948E0150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000205948E62F0, 16 bytes long.
 Data: <&#160;o&#142;&#148;            > A0 6F 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000205948E0390, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000205948E60C0, 16 bytes long.
 Data: <&#232;n&#142;&#148;            > E8 6E 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000205948E6890, 16 bytes long.
 Data: <&#192;n&#142;&#148;            > C0 6E 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000205948E6250, 16 bytes long.
 Data: < n&#142;&#148;            > 98 6E 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000205948E66B0, 16 bytes long.
 Data: <pn&#142;&#148;            > 70 6E 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000205948E6BB0, 16 bytes long.
 Data: <Hn&#142;&#148;            > 48 6E 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000205948E6B60, 16 bytes long.
 Data: < n&#142;&#148;            > 20 6E 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000205948E6520, 16 bytes long.
 Data: <&#208; &#142;&#148;            > D0 07 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000205948E07D0, 40 bytes long.
 Data: < e&#142;&#148;    &#192;Hm&#150;    > 20 65 8E 94 05 02 00 00 C0 48 6D 96 05 02 00 00 
{266} normal block at 0x00000205948E6430, 16 bytes long.
 Data: < n&#142;&#148;            > 00 6E 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000205948E69D0, 16 bytes long.
 Data: <&#216;m&#142;&#148;            > D8 6D 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000205948E0270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000205948E5F30, 16 bytes long.
 Data: <&#176;m&#142;&#148;            > B0 6D 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000205948E6DB0, 992 bytes long.
 Data: <0_&#142;&#148;    p &#142;&#148;    > 30 5F 8E 94 05 02 00 00 70 02 8E 94 05 02 00 00 
{98} normal block at 0x00000205948DF6D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000205948DD730, 16 bytes long.
 Data: < 	&#142;&#148;            > 90 09 8E 94 05 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000205948E0990, 40 bytes long.
 Data: <0&#215; &#148;    &#208;&#246; &#148;    > 30 D7 8D 94 05 02 00 00 D0 F6 8D 94 05 02 00 00 
{75} normal block at 0x00000205948DDC80, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000205948DE4F0, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000205948DD780, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000205948DE310, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000205948DDB90, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000205948DE090, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000205948DDD70, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000205948DE040, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000205948DDCD0, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000205948DE5E0, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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