Task 38670093

Name	test_706-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2434_0
Workunit	31612368
Created	25 Oct 2026, 16:28:04 UTC
Sent	25 Oct 2026, 16:28:16 UTC
Report deadline	30 Oct 2026, 16:28:16 UTC
Received	25 Oct 2026, 22:35:12 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	539539
Run time	54 min 8 sec
CPU time	53 min 11 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	4,056.34 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	653.41 MB
Peak swap size	5.22 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:14:26 (9640): wrapper (7.9.26016): starting
21:14:26 (9640): 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
21:14:27 (9640): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:14:27 (9640): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835183} normal block at 0x000002D564F78E50, 8 bytes long.
 Data: <   d    > 00 00 F2 64 D5 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000002D56505E8F0, 1080 bytes long.
 Data: <                > 0C 07 00 00 CD CD CD CD 94 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002D564F81650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
21:37:31 (4672): wrapper (7.9.26016): starting
21:37:31 (4672): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x0000029A94742EB0, 8 bytes long.
 Data: <        > 00 00 18 96 9A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000029A947438D0, 1080 bytes long.
 Data: <H       H       > 48 0A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
22:08:43 (3196): wrapper (7.9.26016): starting
22:08:43 (3196): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x0000020DFC8B2910, 8 bytes long.
 Data: <        > 00 00 87 FC 0D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000020DFC8B38D0, 1080 bytes long.
 Data: <        L       > 14 01 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
22:26:36 (8404): wrapper (7.9.26016): starting
22:26:36 (8404): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x000001B4B3E62A00, 8 bytes long.
 Data: <  }     > 00 00 7D B5 B4 01 00 00 
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001B4B3E63880, 1080 bytes long.
 Data: < K      D       > 18 4B 00 00 CD CD CD CD 44 00 00 00 00 00 00 00 
Object dump complete.
22:32:46 (19632): wrapper (7.9.26016): starting
22:32:46 (19632): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x000001BF8F672D20, 8 bytes long.
 Data: <  b     > 00 00 62 8F BF 01 00 00 
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001BF8F6738D0, 1080 bytes long.
 Data: < -      ,       > C0 2D 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 
Object dump complete.
22:42:33 (4508): wrapper (7.9.26016): starting
22:42:33 (4508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x0000027C93A127D0, 8 bytes long.
 Data: <    |   > 00 00 9E 93 7C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000027C93A13880, 1080 bytes long.
 Data: <        \       > C0 0C 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00 
Object dump complete.
22:45:11 (19164): wrapper (7.9.26016): starting
22:45:11 (19164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x000002B25AB82230, 8 bytes long.
 Data: <  N\    > 00 00 4E 5C B2 02 00 00 
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002B25AB838D0, 1080 bytes long.
 Data: <(<              > 28 3C 00 00 CD CD CD CD CC 00 00 00 00 00 00 00 
Object dump complete.
22:53:28 (17004): wrapper (7.9.26016): starting
22:53:28 (17004): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1536} normal block at 0x000001267C5427D0, 8 bytes long.
 Data: <  P|&   > 00 00 50 7C 26 01 00 00 
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001267C543880, 1080 bytes long.
 Data: <T       D       > 54 1C 00 00 CD CD CD CD 44 00 00 00 00 00 00 00 
Object dump complete.
23:14:01 (1484): wrapper (7.9.26016): starting
23:14:02 (1484): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
23:34:54 (1484): C:/Windows/system32/cmd.exe exited; CPU time 1217.687500
23:34:54 (1484): 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: 19332523 bytes.
Dumping objects ->
{1625} normal block at 0x000001CB8D421A20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1614} normal block at 0x000001CB8D421F60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1603} normal block at 0x000001CB8D4219B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1592} normal block at 0x000001CB8D421940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1581} normal block at 0x000001CB8D421EF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1550} normal block at 0x000001CB8D41D280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1539} normal block at 0x000001CB8D41D1E0, 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) : {1536} normal block at 0x000001CB8D422FC0, 8 bytes long.
 Data: <        > 00 00 D3 8E CB 01 00 00 
{908} normal block at 0x000001CB8D40B1A0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{298} normal block at 0x000001CB8D422F70, 8 bytes long.
 Data: <P8B     > 50 38 42 8D CB 01 00 00 
{289} normal block at 0x000001CB8D405F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001CB8D4227A0, 16 bytes long.
 Data: <X7B             > 58 37 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CB8D422340, 16 bytes long.
 Data: <07B             > 30 37 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CB8D41E060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001CB8D422700, 16 bytes long.
 Data: < 7B             > 08 37 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CB8D4222A0, 16 bytes long.
 Data: < 6B             > E0 36 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CB8D422430, 16 bytes long.
 Data: < 6B             > B8 36 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CB8D422610, 16 bytes long.
 Data: < 6B             > 90 36 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CB8D421B70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001CB8D422250, 16 bytes long.
 Data: < ^@             > 98 5E 40 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CB8D41DA60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001CB8D422980, 16 bytes long.
 Data: <p^@             > 70 5E 40 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CB8D422200, 16 bytes long.
 Data: <H^@             > 48 5E 40 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CB8D422160, 16 bytes long.
 Data: < ^@             > 20 5E 40 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CB8D422520, 16 bytes long.
 Data: < ]@             > F8 5D 40 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CB8D422570, 16 bytes long.
 Data: < ]@             > D0 5D 40 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CB8D422660, 16 bytes long.
 Data: < ]@             > A8 5D 40 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CB8D41E1E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001CB8D422D40, 16 bytes long.
 Data: < ]@             > 80 5D 40 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CB8D405D80, 320 bytes long.
 Data: <@-B       A     > 40 2D 42 8D CB 01 00 00 E0 E1 41 8D CB 01 00 00 
{268} normal block at 0x000001CB8D422CF0, 16 bytes long.
 Data: <p6B             > 70 36 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CB8D422C00, 16 bytes long.
 Data: <H6B             > 48 36 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CB8D41E240, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001CB8D4221B0, 16 bytes long.
 Data: < 6B             > 20 36 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CB8D41E300, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001CB8D422110, 16 bytes long.
 Data: <h5B             > 68 35 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CB8D4220C0, 16 bytes long.
 Data: <@5B             > 40 35 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CB8D4225C0, 16 bytes long.
 Data: < 5B             > 18 35 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CB8D422B10, 16 bytes long.
 Data: < 4B             > F0 34 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CB8D422F20, 16 bytes long.
 Data: < 4B             > C8 34 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CB8D422ED0, 16 bytes long.
 Data: < 4B             > A0 34 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CB8D422BB0, 16 bytes long.
 Data: <  B             > 80 1E 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CB8D421E80, 40 bytes long.
 Data: < +B       A     > B0 2B 42 8D CB 01 00 00 80 D2 41 8D CB 01 00 00 
{254} normal block at 0x000001CB8D4224D0, 16 bytes long.
 Data: < 4B             > 80 34 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CB8D422AC0, 16 bytes long.
 Data: <X4B             > 58 34 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001CB8D41DD60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001CB8D422A20, 16 bytes long.
 Data: <04B             > 30 34 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001CB8D423430, 992 bytes long.
 Data: < *B     ` A     > 20 2A 42 8D CB 01 00 00 60 DD 41 8D CB 01 00 00 
{86} normal block at 0x000001CB8D41DCA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001CB8D417A90, 16 bytes long.
 Data: <  B             > D0 18 42 8D CB 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001CB8D4218D0, 40 bytes long.
 Data: < zA       A     > 90 7A 41 8D CB 01 00 00 A0 DC 41 8D CB 01 00 00 
{63} normal block at 0x000001CB8D4179A0, 16 bytes long.
 Data: <  %             > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CB8D417770, 16 bytes long.
 Data: <@ %             > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CB8D418120, 16 bytes long.
 Data: < W"             > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CB8D417B80, 16 bytes long.
 Data: < W"             > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CB8D417E50, 16 bytes long.
 Data: <P "             > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CB8D417F40, 16 bytes long.
 Data: <0 "             > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CB8D4178B0, 16 bytes long.
 Data: <  "             > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001CB8D418210, 16 bytes long.
 Data: <  "             > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001CB8D417EF0, 16 bytes long.
 Data: <p "             > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001CB8D417FE0, 16 bytes long.
 Data: <                > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>