Task 38686350

Name test_373-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND5083_0
Workunit 31627784
Created 28 Oct 2026, 2:03:55 UTC
Sent 28 Oct 2026, 2:04:05 UTC
Report deadline 2 Nov 2026, 2:04:05 UTC
Received 28 Oct 2026, 2:58:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 53 min 39 sec
CPU time 51 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 870.04 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:05:55 (12184): wrapper (7.9.26016): starting
03:05:55 (12184): 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
03:05:57 (12184): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:05:57 (12184): 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 'D:\ProgramData\BOINC\slots\8\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 'D:\ProgramData\BOINC\slots\8\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
03:58:22 (12184): C:/Windows/system32/cmd.exe exited; CPU time 3088.578125
03:58:22 (12184): 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: 46236683 bytes.
Dumping objects ->
{3835551} normal block at 0x00000261D3A2D8F0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x00000261D1E447A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x00000261D1E44EA0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x00000261D1E44CE0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x00000261D1E44B90, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x00000261D3A75D80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x00000261D3A8ECB0, 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) : {3835462} normal block at 0x00000261D1E3EA40, 8 bytes long.
 Data: <   &#210;a   > 00 00 1F D2 61 02 00 00 
{3834687} normal block at 0x00000261D3A8EC00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000261D1E3E9A0, 8 bytes long.
 Data: <&#208;I&#176;&#211;a   > D0 49 B0 D3 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000261D1E40B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000261D1E36100, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000261D1E465E0, 16 bytes long.
 Data: <xi&#228;&#209;a           > 78 69 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000261D1E45A00, 16 bytes long.
 Data: <Pi&#228;&#209;a           > 50 69 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000261D1E3FE70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000261D1E46220, 16 bytes long.
 Data: <(i&#228;&#209;a           > 28 69 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000261D1E456E0, 16 bytes long.
 Data: < i&#228;&#209;a           > 00 69 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000261D1E46540, 16 bytes long.
 Data: <&#216;h&#228;&#209;a           > D8 68 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000261D1E46450, 16 bytes long.
 Data: <&#176;h&#228;&#209;a           > B0 68 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000261D1E448F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000261D1E46360, 16 bytes long.
 Data: <h&#230;&#227;&#209;a           > 68 E6 E3 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000261D1E3FFF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000261D1E46090, 16 bytes long.
 Data: <@&#230;&#227;&#209;a           > 40 E6 E3 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000261D1E459B0, 16 bytes long.
 Data: < &#230;&#227;&#209;a           > 18 E6 E3 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000261D1E46040, 16 bytes long.
 Data: <&#240;&#229;&#227;&#209;a           > F0 E5 E3 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000261D1E46400, 16 bytes long.
 Data: <&#200;&#229;&#227;&#209;a           > C8 E5 E3 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000261D1E45820, 16 bytes long.
 Data: <&#160;&#229;&#227;&#209;a           > A0 E5 E3 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000261D1E45FF0, 16 bytes long.
 Data: <x&#229;&#227;&#209;a           > 78 E5 E3 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000261D1E3FBD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000261D1E46180, 16 bytes long.
 Data: <P&#229;&#227;&#209;a           > 50 E5 E3 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000261D1E3E550, 320 bytes long.
 Data: < a&#228;&#209;a   &#208;&#251;&#227;&#209;a   > 80 61 E4 D1 61 02 00 00 D0 FB E3 D1 61 02 00 00 
{278} normal block at 0x00000261D1E45E10, 16 bytes long.
 Data: < h&#228;&#209;a           > 90 68 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000261D1E45780, 16 bytes long.
 Data: <hh&#228;&#209;a           > 68 68 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000261D1E3FDB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000261D1E45B90, 16 bytes long.
 Data: <@h&#228;&#209;a           > 40 68 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000261D1E40770, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000261D1E45FA0, 16 bytes long.
 Data: < g&#228;&#209;a           > 88 67 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000261D1E464F0, 16 bytes long.
 Data: <`g&#228;&#209;a           > 60 67 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000261D1E463B0, 16 bytes long.
 Data: <8g&#228;&#209;a           > 38 67 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000261D1E46130, 16 bytes long.
 Data: < g&#228;&#209;a           > 10 67 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000261D1E45B40, 16 bytes long.
 Data: <&#232;f&#228;&#209;a           > E8 66 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000261D1E46270, 16 bytes long.
 Data: <&#192;f&#228;&#209;a           > C0 66 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000261D1E460E0, 16 bytes long.
 Data: < L&#228;&#209;a           > 00 4C E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000261D1E44C00, 40 bytes long.
 Data: <&#224;`&#228;&#209;a    ]&#167;&#211;a   > E0 60 E4 D1 61 02 00 00 80 5D A7 D3 61 02 00 00 
{264} normal block at 0x00000261D1E45EB0, 16 bytes long.
 Data: <&#160;f&#228;&#209;a           > A0 66 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000261D1E461D0, 16 bytes long.
 Data: <xf&#228;&#209;a           > 78 66 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000261D1E40170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000261D1E46590, 16 bytes long.
 Data: <Pf&#228;&#209;a           > 50 66 E4 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000261D1E46650, 992 bytes long.
 Data: < e&#228;&#209;a   p &#228;&#209;a   > 90 65 E4 D1 61 02 00 00 70 01 E4 D1 61 02 00 00 
{96} normal block at 0x00000261D1E40650, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000261D1E3E9F0, 16 bytes long.
 Data: < &#221;&#226;&#209;a           > 00 DD E2 D1 61 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000261D1E2DD00, 40 bytes long.
 Data: <&#240;&#233;&#227;&#209;a   P &#228;&#209;a   > F0 E9 E3 D1 61 02 00 00 50 06 E4 D1 61 02 00 00 
{73} normal block at 0x00000261D1E3F4E0, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000261D1E3EEF0, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000261D1E3E950, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000261D1E3F0D0, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000261D1E3F260, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000261D1E3F6C0, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000261D1E3F3F0, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000261D1E3EB30, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000261D1E3F080, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000261D1E3F440, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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