Task 38688832

Name test_673-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8883_0
Workunit 31630141
Created 28 Oct 2026, 16:27:17 UTC
Sent 28 Oct 2026, 16:27:24 UTC
Report deadline 2 Nov 2026, 16:27:24 UTC
Received 28 Oct 2026, 17:52:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 20 min 9 sec
CPU time 18 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.98 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:32:49 (17524): wrapper (7.9.26016): starting
18:32:49 (17524): 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
18:32:50 (17524): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:32:50 (17524): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
18:52:23 (17524): C:/Windows/system32/cmd.exe exited; CPU time 1132.812500
18:52:23 (17524): 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: 20258985 bytes.
Dumping objects ->
{3835289} normal block at 0x00000161C00CC970, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x00000161C00CC9E0, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x00000161BE394ED0, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x00000161BE394E60, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x00000161BE394CA0, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x00000161C01149F0, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x00000161C012F000, 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) : {3835200} normal block at 0x00000161BE38DD20, 8 bytes long.
 Data: <  2&#190;a   > 00 00 32 BE 61 01 00 00 
{3834573} normal block at 0x00000161C012EF50, 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 0x00000161BE38D550, 8 bytes long.
 Data: <&#240;S &#192;a   > F0 53 17 C0 61 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000161BE391070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000161BE37E690, 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 0x00000161BE3959B0, 16 bytes long.
 Data: < h9&#190;a           > 88 68 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000161BE396310, 16 bytes long.
 Data: <`h9&#190;a           > 60 68 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000161BE38F580, 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 0x00000161BE396220, 16 bytes long.
 Data: <8h9&#190;a           > 38 68 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000161BE395820, 16 bytes long.
 Data: < h9&#190;a           > 10 68 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000161BE396450, 16 bytes long.
 Data: <&#232;g9&#190;a           > E8 67 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000161BE395AF0, 16 bytes long.
 Data: <&#192;g9&#190;a           > C0 67 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000161BE394A70, 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 0x00000161BE395AA0, 16 bytes long.
 Data: <  8&#190;a           > 98 8F 38 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000161BE38FA60, 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 0x00000161BE396090, 16 bytes long.
 Data: <p 8&#190;a           > 70 8F 38 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000161BE3958C0, 16 bytes long.
 Data: <H 8&#190;a           > 48 8F 38 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000161BE395960, 16 bytes long.
 Data: <  8&#190;a           > 20 8F 38 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000161BE3961D0, 16 bytes long.
 Data: <&#248;&#142;8&#190;a           > F8 8E 38 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000161BE395730, 16 bytes long.
 Data: <&#208;&#142;8&#190;a           > D0 8E 38 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000161BE3955A0, 16 bytes long.
 Data: <&#168;&#142;8&#190;a           > A8 8E 38 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000161BE38F880, 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 0x00000161BE395B40, 16 bytes long.
 Data: < &#142;8&#190;a           > 80 8E 38 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000161BE388E80, 320 bytes long.
 Data: <@[9&#190;a    &#248;8&#190;a   > 40 5B 39 BE 61 01 00 00 80 F8 38 BE 61 01 00 00 
{278} normal block at 0x00000161BE3964F0, 16 bytes long.
 Data: <&#160;g9&#190;a           > A0 67 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000161BE396130, 16 bytes long.
 Data: <xg9&#190;a           > 78 67 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000161BE38F820, 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 0x00000161BE395910, 16 bytes long.
 Data: <Pg9&#190;a           > 50 67 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000161BE38F7C0, 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 0x00000161BE3963B0, 16 bytes long.
 Data: < f9&#190;a           > 98 66 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000161BE395F00, 16 bytes long.
 Data: <pf9&#190;a           > 70 66 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000161BE395E60, 16 bytes long.
 Data: <Hf9&#190;a           > 48 66 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000161BE396040, 16 bytes long.
 Data: < f9&#190;a           > 20 66 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000161BE395D70, 16 bytes long.
 Data: <&#248;e9&#190;a           > F8 65 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000161BE396360, 16 bytes long.
 Data: <&#208;e9&#190;a           > D0 65 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000161BE396180, 16 bytes long.
 Data: < P9&#190;a           > 90 50 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000161BE395090, 40 bytes long.
 Data: < a9&#190;a   &#240;I &#192;a   > 80 61 39 BE 61 01 00 00 F0 49 11 C0 61 01 00 00 
{264} normal block at 0x00000161BE3956E0, 16 bytes long.
 Data: <&#176;e9&#190;a           > B0 65 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000161BE3960E0, 16 bytes long.
 Data: < e9&#190;a           > 88 65 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000161BE38EE60, 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 0x00000161BE395A00, 16 bytes long.
 Data: <`e9&#190;a           > 60 65 39 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000161BE396560, 992 bytes long.
 Data: < Z9&#190;a   `&#238;8&#190;a   > 00 5A 39 BE 61 01 00 00 60 EE 38 BE 61 01 00 00 
{96} normal block at 0x00000161BE38F340, 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 0x00000161BE38DE10, 16 bytes long.
 Data: <p&#246;7&#190;a           > 70 F6 37 BE 61 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000161BE37F670, 40 bytes long.
 Data: < &#222;8&#190;a   @&#243;8&#190;a   > 10 DE 38 BE 61 01 00 00 40 F3 38 BE 61 01 00 00 
{73} normal block at 0x00000161BE38D960, 16 bytes long.
 Data: < &#234; 7&#246;           > 80 EA 1A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000161BE38D280, 16 bytes long.
 Data: <@&#233; 7&#246;           > 40 E9 1A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000161BE38DF00, 16 bytes long.
 Data: <&#248;W 7&#246;           > F8 57 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000161BE38DC30, 16 bytes long.
 Data: <&#216;W 7&#246;           > D8 57 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000161BE38D370, 16 bytes long.
 Data: <P  7&#246;           > 50 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000161BE38D410, 16 bytes long.
 Data: <0  7&#246;           > 30 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000161BE38D870, 16 bytes long.
 Data: <&#224;  7&#246;           > E0 02 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000161BE38DCD0, 16 bytes long.
 Data: <   7&#246;           > 10 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000161BE38DDC0, 16 bytes long.
 Data: <p  7&#246;           > 70 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000161BE38D910, 16 bytes long.
 Data: < &#192; 7&#246;           > 18 C0 15 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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