Task 38697199

Name	test_369-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1528_0
Workunit	31637784
Created	1 Nov 2026, 10:34:49 UTC
Sent	1 Nov 2026, 10:34:55 UTC
Report deadline	6 Nov 2026, 10:34:55 UTC
Received	1 Nov 2026, 11:39:48 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	629599
Run time	21 min 26 sec
CPU time	19 min 59 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	29,502.51 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	716.42 MB
Peak swap size	5.41 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:38:57 (355256): wrapper (7.9.26016): starting
11:38:57 (355256): 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
11:38:58 (355256): Library/usr/bin/tar.exe exited; CPU time 0.046875
11:38:58 (355256): 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) : {3835506} normal block at 0x0000023E5EF8DF80, 8 bytes long.
 Data: <   ^>   > 00 00 E4 5E 3E 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x0000023E5F06EB40, 1080 bytes long.
 Data: < s      t       > B0 73 05 00 CD CD CD CD 74 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000023E5EF91E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
11:47:51 (356052): wrapper (7.9.26016): starting
11:47:51 (356052): 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\10\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\10\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) : {1849} normal block at 0x000002A3AC806100, 8 bytes long.
 Data: <        > 00 00 CD AC A3 02 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002A3AC807080, 1080 bytes long.
 Data: < t      T       > 10 74 05 00 CD CD CD CD 54 01 00 00 00 00 00 00 
Object dump complete.
12:04:01 (361076): wrapper (7.9.26016): starting
12:04:01 (361076): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\10\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1849} normal block at 0x000001464B306700, 8 bytes long.
 Data: <  }KF   > 00 00 7D 4B 46 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001464B306F50, 1080 bytes long.
 Data: <        `       > 04 83 05 00 CD CD CD CD 60 01 00 00 00 00 00 00 
Object dump complete.
12:08:12 (353620): wrapper (7.9.26016): starting
12:08:12 (353620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\10\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1849} normal block at 0x00000295A0856AC0, 8 bytes long.
 Data: <        > 00 00 80 A0 95 02 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000295A0856F50, 1080 bytes long.
 Data: <        D       > A0 85 05 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
12:17:28 (364384): wrapper (7.9.26016): starting
12:17:28 (364384): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\10\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1849} normal block at 0x000001BDCDF86520, 8 bytes long.
 Data: <  H     > 00 00 48 CE BD 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001BDCDF86F50, 1080 bytes long.
 Data: <        d       > E0 8F 05 00 CD CD CD CD 64 01 00 00 00 00 00 00 
Object dump complete.
12:22:38 (364268): wrapper (7.9.26016): starting
12:22:38 (364268): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\10\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1849} normal block at 0x0000013413E460C0, 8 bytes long.
 Data: <  . 4   > 00 00 2E 14 34 01 00 00 
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000013413E46FF0, 1080 bytes long.
 Data: < {      `       > E4 7B 05 00 CD CD CD CD 60 01 00 00 00 00 00 00 
Object dump complete.
12:29:49 (353736): wrapper (7.9.26016): starting
12:29:49 (353736): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\10\tmp" existiert bereits.
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
12:39:30 (353736): C:/Windows/system32/cmd.exe exited; CPU time 535.500000
12:39:30 (353736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 11839595 bytes.
Dumping objects ->
{1937} normal block at 0x000001DE87B351C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1926} normal block at 0x000001DE87B35000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1915} normal block at 0x000001DE87B34E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1904} normal block at 0x000001DE87B352A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1893} normal block at 0x000001DE87B35230, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1862} normal block at 0x000001DE87B1B9A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1849} normal block at 0x000001DE87B364C0, 8 bytes long.
 Data: <        > 00 00 F6 87 DE 01 00 00 
{308} normal block at 0x000001DE87B36010, 8 bytes long.
 Data: < o      > E0 6F B3 87 DE 01 00 00 
{299} normal block at 0x000001DE87B26C70, 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 0x000001DE87B36240, 16 bytes long.
 Data: < n              > E8 6E B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DE87B36100, 16 bytes long.
 Data: < n              > C0 6E B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001DE87B2F930, 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 0x000001DE87B35F70, 16 bytes long.
 Data: < n              > 98 6E B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DE87B35CF0, 16 bytes long.
 Data: <pn              > 70 6E B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DE87B35ED0, 16 bytes long.
 Data: <Hn              > 48 6E B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DE87B35FC0, 16 bytes long.
 Data: < n              > 20 6E B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DE87B350E0, 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 0x000001DE87B35E80, 16 bytes long.
 Data: <X               > 58 95 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DE87B30110, 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 0x000001DE87B360B0, 16 bytes long.
 Data: <0               > 30 95 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DE87B361A0, 16 bytes long.
 Data: <                > 08 95 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DE87B368D0, 16 bytes long.
 Data: <                > E0 94 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DE87B35DE0, 16 bytes long.
 Data: <                > B8 94 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DE87B36150, 16 bytes long.
 Data: <                > 90 94 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DE87B363D0, 16 bytes long.
 Data: <h               > 68 94 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DE87B30050, 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 0x000001DE87B36600, 16 bytes long.
 Data: <@               > 40 94 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DE87B29440, 320 bytes long.
 Data: < f      P       > 00 66 B3 87 DE 01 00 00 50 00 B3 87 DE 01 00 00 
{278} normal block at 0x000001DE87B365B0, 16 bytes long.
 Data: < n              > 00 6E B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DE87B36420, 16 bytes long.
 Data: < m              > D8 6D B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DE87B2FF90, 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 0x000001DE87B362E0, 16 bytes long.
 Data: < m              > B0 6D B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DE87B2FC30, 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 0x000001DE87B35CA0, 16 bytes long.
 Data: < l              > F8 6C B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DE87B36060, 16 bytes long.
 Data: < l              > D0 6C B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DE87B35E30, 16 bytes long.
 Data: < l              > A8 6C B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DE87B36330, 16 bytes long.
 Data: < l              > 80 6C B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DE87B361F0, 16 bytes long.
 Data: <Xl              > 58 6C B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DE87B36470, 16 bytes long.
 Data: <0l              > 30 6C B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DE87B35C50, 16 bytes long.
 Data: < O              > 90 4F B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DE87B34F90, 40 bytes long.
 Data: <P\              > 50 5C B3 87 DE 01 00 00 A0 B9 B1 87 DE 01 00 00 
{264} normal block at 0x000001DE87B35F20, 16 bytes long.
 Data: < l              > 10 6C B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DE87B35C00, 16 bytes long.
 Data: < k              > E8 6B B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DE87B2FB10, 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 0x000001DE87B366A0, 16 bytes long.
 Data: < k              > C0 6B B3 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DE87B36BC0, 992 bytes long.
 Data: < f              > A0 66 B3 87 DE 01 00 00 10 FB B2 87 DE 01 00 00 
{96} normal block at 0x000001DE87B30470, 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 0x000001DE87B2D8E0, 16 bytes long.
 Data: < C              > F0 43 B2 87 DE 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001DE87B243F0, 40 bytes long.
 Data: <        p       > E0 D8 B2 87 DE 01 00 00 70 04 B3 87 DE 01 00 00 
{73} normal block at 0x000001DE87B2E510, 16 bytes long.
 Data: <                > 80 EA 01 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001DE87B2DED0, 16 bytes long.
 Data: <@               > 40 E9 01 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001DE87B2E240, 16 bytes long.
 Data: < W              > F8 57 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DE87B2E1A0, 16 bytes long.
 Data: < W              > D8 57 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DE87B2D750, 16 bytes long.
 Data: <P               > 50 04 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DE87B2E5B0, 16 bytes long.
 Data: <0               > 30 04 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DE87B2E4C0, 16 bytes long.
 Data: <                > E0 02 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DE87B2E420, 16 bytes long.
 Data: <                > 10 04 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DE87B2E3D0, 16 bytes long.
 Data: <p               > 70 04 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DE87B2DD90, 16 bytes long.
 Data: <                > 18 C0 FC 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>