Task 38650599

Name	test_277-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND3830_0
Workunit	31595091
Created	23 Oct 2026, 23:49:45 UTC
Sent	24 Oct 2026, 0:12:26 UTC
Report deadline	29 Oct 2026, 0:12:26 UTC
Received	24 Oct 2026, 2:25:08 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	654255
Run time	42 min 5 sec
CPU time	39 min 32 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	12,956.20 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	686.79 MB
Peak swap size	5.34 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:41:27 (6936): wrapper (7.9.26016): starting
03:41:27 (6936): 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
03:41:30 (6936): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:41:30 (6936): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
  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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835204} normal block at 0x000001B9957EDB20, 8 bytes long.
 Data: <  y     > 00 00 79 95 B9 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001B997444770, 1080 bytes long.
 Data: < <              > F8 3C 00 00 CD CD CD CD F4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001B9957F1E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
03:47:40 (22552): wrapper (7.9.26016): starting
03:47:40 (22552): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1545} normal block at 0x000002238A996E40, 8 bytes long.
 Data: <    #   > 00 00 EB 8A 23 02 00 00 
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002238A997370, 1080 bytes long.
 Data: <0{      L       > 30 7B 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
04:03:37 (28996): wrapper (7.9.26016): starting
04:03:37 (28996): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1545} normal block at 0x000002707A176800, 8 bytes long.
 Data: <  _zp   > 00 00 5F 7A 70 02 00 00 
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002707A177370, 1080 bytes long.
 Data: <        <       > DC 0D 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00 
Object dump complete.
04:19:35 (29436): wrapper (7.9.26016): starting
04:19:35 (29436): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi&#133; esistente.
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
04:24:53 (29436): C:/Windows/system32/cmd.exe exited; CPU time 278.000000
04:24:53 (29436): 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: 6280447 bytes.
Dumping objects ->
{1634} normal block at 0x000001E6F7ED5A50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1623} normal block at 0x000001E6F7ED59E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1612} normal block at 0x000001E6F7ED56D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1601} normal block at 0x000001E6F7ED5820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1590} normal block at 0x000001E6F7ED57B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1559} normal block at 0x000001E6F7EBFAC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1548} normal block at 0x000001E6F7EBC930, 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) : {1545} normal block at 0x000001E6F7ED69B0, 8 bytes long.
 Data: <  -     > 00 00 2D F8 E6 01 00 00 
{917} normal block at 0x000001E6F7EBBD20, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{310} normal block at 0x000001E6F7ED6320, 8 bytes long.
 Data: <@s      > 40 73 ED F7 E6 01 00 00 
{301} normal block at 0x000001E6F7EC7090, 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 0x000001E6F7ED6370, 16 bytes long.
 Data: <Hr              > 48 72 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E6F7ED67D0, 16 bytes long.
 Data: < r              > 20 72 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E6F7ECFB00, 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 0x000001E6F7ED64B0, 16 bytes long.
 Data: < q              > F8 71 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E6F7ED6460, 16 bytes long.
 Data: < q              > D0 71 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E6F7ED6EB0, 16 bytes long.
 Data: < q              > A8 71 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E6F7ED6000, 16 bytes long.
 Data: < q              > 80 71 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E6F7ED5350, 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 0x000001E6F7ED60F0, 16 bytes long.
 Data: <                > B8 BC EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E6F7ECFDA0, 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 0x000001E6F7ED62D0, 16 bytes long.
 Data: <                > 90 BC EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E6F7ED6910, 16 bytes long.
 Data: <h               > 68 BC EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E6F7ED60A0, 16 bytes long.
 Data: <@               > 40 BC EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E6F7ED6D70, 16 bytes long.
 Data: <                > 18 BC EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E6F7ED6D20, 16 bytes long.
 Data: <                > F0 BB EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6F7ED6CD0, 16 bytes long.
 Data: <                > C8 BB EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E6F7ECFA40, 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 0x000001E6F7ED6A00, 16 bytes long.
 Data: <                > A0 BB EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6F7EBBBA0, 320 bytes long.
 Data: < j      @       > 00 6A ED F7 E6 01 00 00 40 FA EC F7 E6 01 00 00 
{280} normal block at 0x000001E6F7ED6E60, 16 bytes long.
 Data: <`q              > 60 71 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6F7ED6BE0, 16 bytes long.
 Data: <8q              > 38 71 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E6F7ECFAA0, 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 0x000001E6F7ED6280, 16 bytes long.
 Data: < q              > 10 71 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E6F7ED0280, 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 0x000001E6F7ED5FB0, 16 bytes long.
 Data: <Xp              > 58 70 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E6F7ED6C30, 16 bytes long.
 Data: <0p              > 30 70 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E6F7ED6C80, 16 bytes long.
 Data: < p              > 08 70 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6F7ED61E0, 16 bytes long.
 Data: < o              > E0 6F ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E6F7ED6230, 16 bytes long.
 Data: < o              > B8 6F ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6F7ED6410, 16 bytes long.
 Data: < o              > 90 6F ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6F7ED6730, 16 bytes long.
 Data: <@W              > 40 57 ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E6F7ED5740, 40 bytes long.
 Data: <0g              > 30 67 ED F7 E6 01 00 00 C0 FA EB F7 E6 01 00 00 
{266} normal block at 0x000001E6F7ED6E10, 16 bytes long.
 Data: <po              > 70 6F ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E6F7ED6780, 16 bytes long.
 Data: <Ho              > 48 6F ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E6F7ED05E0, 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 0x000001E6F7ED63C0, 16 bytes long.
 Data: < o              > 20 6F ED F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E6F7ED6F20, 992 bytes long.
 Data: < c              > C0 63 ED F7 E6 01 00 00 E0 05 ED F7 E6 01 00 00 
{98} normal block at 0x000001E6F7ECF9E0, 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 0x000001E6F7ECDFA0, 16 bytes long.
 Data: <                > C0 C8 EB F7 E6 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001E6F7EBC8C0, 40 bytes long.
 Data: <                > A0 DF EC F7 E6 01 00 00 E0 F9 EC F7 E6 01 00 00 
{75} normal block at 0x000001E6F7ECE770, 16 bytes long.
 Data: <                > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E6F7ECE310, 16 bytes long.
 Data: <@               > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E6F7ECE2C0, 16 bytes long.
 Data: < W              > F8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E6F7ECDCD0, 16 bytes long.
 Data: < W              > D8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E6F7ECDEB0, 16 bytes long.
 Data: <P               > 50 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E6F7ECE540, 16 bytes long.
 Data: <0               > 30 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E6F7ECE1D0, 16 bytes long.
 Data: <                > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E6F7ECE220, 16 bytes long.
 Data: <                > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E6F7ECE0E0, 16 bytes long.
 Data: <p               > 70 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E6F7ECDAA0, 16 bytes long.
 Data: <                > 18 C0 D5 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>