Task 38679583

Name test_639-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5935_0
Workunit 31621354
Created 26 Oct 2026, 21:03:45 UTC
Sent 26 Oct 2026, 21:03:50 UTC
Report deadline 31 Oct 2026, 21:03:50 UTC
Received 26 Oct 2026, 22:32:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 24 min 50 sec
CPU time 23 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 782.75 MB
Peak swap size 9.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:07:43 (16528): wrapper (7.9.26016): starting
00:07:43 (16528): 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
00:07:45 (16528): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:07:45 (16528): 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\1\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\1\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
00:31:47 (16528): C:/Windows/system32/cmd.exe exited; CPU time 1381.937500
00:31:47 (16528): 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: 22215803 bytes.
Dumping objects ->
{3835317} normal block at 0x000001A942D84F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x000001A942D84EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000001A942D84FD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x000001A942D853C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000001A942D852E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x000001A944B5BA80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001A944B6F230, 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) : {3835228} normal block at 0x000001A942D7FE60, 8 bytes long.
 Data: <  &#213;B&#169;   > 00 00 D5 42 A9 01 00 00 
{3834592} normal block at 0x000001A944B6EC00, 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 0x000001A942D7F6E0, 8 bytes long.
 Data: <0&#212;&#229;B&#169;   > 30 D4 E5 42 A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001A942D815A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001A942D75C00, 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 0x000001A942D85EB0, 16 bytes long.
 Data: <xi&#216;B&#169;           > 78 69 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A942D85C30, 16 bytes long.
 Data: <Pi&#216;B&#169;           > 50 69 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A942D7D4B0, 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 0x000001A942D86090, 16 bytes long.
 Data: <(i&#216;B&#169;           > 28 69 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A942D86590, 16 bytes long.
 Data: < i&#216;B&#169;           > 00 69 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A942D864A0, 16 bytes long.
 Data: <&#216;h&#216;B&#169;           > D8 68 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A942D85BE0, 16 bytes long.
 Data: <&#176;h&#216;B&#169;           > B0 68 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A942D85350, 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 0x000001A942D85B90, 16 bytes long.
 Data: <8&#143;&#215;B&#169;           > 38 8F D7 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A942D7D5D0, 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 0x000001A942D85D20, 16 bytes long.
 Data: < &#143;&#215;B&#169;           > 10 8F D7 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A942D85B40, 16 bytes long.
 Data: <&#232; &#215;B&#169;           > E8 8E D7 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A942D85E10, 16 bytes long.
 Data: <&#192; &#215;B&#169;           > C0 8E D7 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A942D85AF0, 16 bytes long.
 Data: <  &#215;B&#169;           > 98 8E D7 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A942D86540, 16 bytes long.
 Data: <p &#215;B&#169;           > 70 8E D7 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A942D85AA0, 16 bytes long.
 Data: <H &#215;B&#169;           > 48 8E D7 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A942D7D8D0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{282} normal block at 0x000001A942D85A00, 16 bytes long.
 Data: <  &#215;B&#169;           > 20 8E D7 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A942D78E20, 320 bytes long.
 Data: < Z&#216;B&#169;   &#208;&#216;&#215;B&#169;   > 00 5A D8 42 A9 01 00 00 D0 D8 D7 42 A9 01 00 00 
{280} normal block at 0x000001A942D85CD0, 16 bytes long.
 Data: < h&#216;B&#169;           > 90 68 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A942D85C80, 16 bytes long.
 Data: <hh&#216;B&#169;           > 68 68 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A942D7DC90, 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 0x000001A942D85820, 16 bytes long.
 Data: <@h&#216;B&#169;           > 40 68 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A942D7D7B0, 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 0x000001A942D85910, 16 bytes long.
 Data: < g&#216;B&#169;           > 88 67 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A942D860E0, 16 bytes long.
 Data: <`g&#216;B&#169;           > 60 67 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A942D86400, 16 bytes long.
 Data: <8g&#216;B&#169;           > 38 67 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A942D86310, 16 bytes long.
 Data: < g&#216;B&#169;           > 10 67 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A942D85A50, 16 bytes long.
 Data: <&#232;f&#216;B&#169;           > E8 66 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A942D863B0, 16 bytes long.
 Data: <&#192;f&#216;B&#169;           > C0 66 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A942D856E0, 16 bytes long.
 Data: <0T&#216;B&#169;           > 30 54 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A942D85430, 40 bytes long.
 Data: <&#224;V&#216;B&#169;    &#186;&#181;D&#169;   > E0 56 D8 42 A9 01 00 00 80 BA B5 44 A9 01 00 00 
{266} normal block at 0x000001A942D85730, 16 bytes long.
 Data: <&#160;f&#216;B&#169;           > A0 66 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A942D857D0, 16 bytes long.
 Data: <xf&#216;B&#169;           > 78 66 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A942D7DFF0, 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 0x000001A942D858C0, 16 bytes long.
 Data: <Pf&#216;B&#169;           > 50 66 D8 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A942D86650, 992 bytes long.
 Data: <&#192;X&#216;B&#169;   &#240;&#223;&#215;B&#169;   > C0 58 D8 42 A9 01 00 00 F0 DF D7 42 A9 01 00 00 
{98} normal block at 0x000001A942D7DC30, 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 0x000001A942D7EFB0, 16 bytes long.
 Data: <&#192;&#225;&#214;B&#169;           > C0 E1 D6 42 A9 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001A942D6E1C0, 40 bytes long.
 Data: <&#176;&#239;&#215;B&#169;   0&#220;&#215;B&#169;   > B0 EF D7 42 A9 01 00 00 30 DC D7 42 A9 01 00 00 
{75} normal block at 0x000001A942D7F640, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001A942D7EF60, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A942D7F2D0, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A942D7FA00, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A942D7F370, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A942D7F320, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A942D7F5F0, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A942D7F050, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A942D7F820, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A942D7FD70, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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