Task 38676868
| Name | test_541-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8000_0 |
| Workunit | 31618761 |
| Created | 26 Oct 2026, 12:34:42 UTC |
| Sent | 26 Oct 2026, 12:34:49 UTC |
| Report deadline | 31 Oct 2026, 12:34:49 UTC |
| Received | 26 Oct 2026, 15:16:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632067 |
| Run time | 1 hours 50 min 24 sec |
| CPU time | 1 hours 45 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,333.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.42 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 4.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:38:31 (25976): wrapper (7.9.26016): starting
07:38:31 (25976): 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
07:38:32 (25976): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:38:32 (25976): 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) : {3835350} normal block at 0x00000227A2FA08E0, 8 bytes long.
Data: < ' > 00 00 F7 A2 27 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x00000227A307EA00, 1080 bytes long.
Data: <<1 | > 3C 31 00 00 CD CD CD CD 7C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000227A2F97F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:00:14 (15888): wrapper (7.9.26016): starting
09:00:14 (15888): 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) : {1693} normal block at 0x000002AA2D6465C0, 8 bytes long.
Data: < - > 00 00 A5 2D AA 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002AA2D647090, 1080 bytes long.
Data: <H& \ > 48 26 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
09:18:49 (14296): wrapper (7.9.26016): starting
09:18:49 (14296): 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) : {1693} normal block at 0x0000029180466580, 8 bytes long.
Data: < > 00 00 84 80 91 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000029180467000, 1080 bytes long.
Data: < m H > 20 6D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:23:53 (9776): wrapper (7.9.26016): starting
09:23:53 (9776): 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) : {1693} normal block at 0x00000138EB355EA0, 8 bytes long.
Data: < . 8 > 00 00 2E EB 38 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000138EB357000, 1080 bytes long.
Data: < W H > AC 57 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:38:27 (31940): wrapper (7.9.26016): starting
09:38:27 (31940): 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) : {1693} normal block at 0x0000028CFB687200, 8 bytes long.
Data: < d > 00 00 64 FB 8C 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000028CFB6876E0, 1080 bytes long.
Data: <d H > 64 82 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
10:03:12 (26720): wrapper (7.9.26016): starting
10:03:12 (26720): 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
10:16:15 (26720): C:/Windows/system32/cmd.exe exited; CPU time 726.109375
10:16:15 (26720): 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: 13050372 bytes.
Dumping objects ->
{1781} normal block at 0x00000194D4ED6800, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1770} normal block at 0x00000194D4ED6720, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1759} normal block at 0x00000194D4ED62C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1748} normal block at 0x00000194D4ED66B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1737} normal block at 0x00000194D4ED6480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1706} normal block at 0x00000194D4EBBC80, 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) : {1693} normal block at 0x00000194D4ED74F0, 8 bytes long.
Data: < > 00 00 E7 D4 94 01 00 00
{308} normal block at 0x00000194D4ED6F50, 8 bytes long.
Data: < | > F0 7C ED D4 94 01 00 00
{299} normal block at 0x00000194D4EC90F0, 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 0x00000194D4ED6C80, 16 bytes long.
Data: < { > F8 7B ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000194D4ED6B90, 16 bytes long.
Data: < { > D0 7B ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000194D4ECFC20, 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 0x00000194D4ED7360, 16 bytes long.
Data: < { > A8 7B ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000194D4ED74A0, 16 bytes long.
Data: < { > 80 7B ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000194D4ED6A00, 16 bytes long.
Data: <X{ > 58 7B ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000194D4ED7680, 16 bytes long.
Data: <0{ > 30 7B ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000194D4ED6170, 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 0x00000194D4ED6E10, 16 bytes long.
Data: < > A8 02 EC D4 94 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000194D4ECFEC0, 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 0x00000194D4ED7310, 16 bytes long.
Data: < > 80 02 EC D4 94 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000194D4ED6C30, 16 bytes long.
Data: <X > 58 02 EC D4 94 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000194D4ED7270, 16 bytes long.
Data: <0 > 30 02 EC D4 94 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000194D4ED7590, 16 bytes long.
Data: < > 08 02 EC D4 94 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000194D4ED7220, 16 bytes long.
Data: < > E0 01 EC D4 94 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000194D4ED6BE0, 16 bytes long.
Data: < > B8 01 EC D4 94 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000194D4ECFB60, 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 0x00000194D4ED7180, 16 bytes long.
Data: < > 90 01 EC D4 94 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000194D4EC0190, 320 bytes long.
Data: < q ` > 80 71 ED D4 94 01 00 00 60 FB EC D4 94 01 00 00
{278} normal block at 0x00000194D4ED6DC0, 16 bytes long.
Data: < { > 10 7B ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000194D4ED69B0, 16 bytes long.
Data: < z > E8 7A ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000194D4ED0640, 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 0x00000194D4ED6960, 16 bytes long.
Data: < z > C0 7A ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000194D4ECFE60, 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 0x00000194D4ED7450, 16 bytes long.
Data: < z > 08 7A ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000194D4ED6910, 16 bytes long.
Data: < y > E0 79 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000194D4ED7860, 16 bytes long.
Data: < y > B8 79 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000194D4ED6D20, 16 bytes long.
Data: < y > 90 79 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000194D4ED6AA0, 16 bytes long.
Data: <hy > 68 79 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000194D4ED7540, 16 bytes long.
Data: <@y > 40 79 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000194D4ED71D0, 16 bytes long.
Data: < e > D0 65 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000194D4ED65D0, 40 bytes long.
Data: < q > D0 71 ED D4 94 01 00 00 80 BC EB D4 94 01 00 00
{264} normal block at 0x00000194D4ED6D70, 16 bytes long.
Data: < y > 20 79 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000194D4ED7400, 16 bytes long.
Data: < x > F8 78 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000194D4ECFC80, 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 0x00000194D4ED6FA0, 16 bytes long.
Data: < x > D0 78 ED D4 94 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000194D4ED78D0, 992 bytes long.
Data: < o > A0 6F ED D4 94 01 00 00 80 FC EC D4 94 01 00 00
{96} normal block at 0x00000194D4ED05E0, 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 0x00000194D4ED2090, 16 bytes long.
Data: < > 10 CA EB D4 94 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000194D4EBCA10, 40 bytes long.
Data: < > 90 20 ED D4 94 01 00 00 E0 05 ED D4 94 01 00 00
{73} normal block at 0x00000194D4ED1AA0, 16 bytes long.
Data: < > 80 EA C5 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000194D4ED1960, 16 bytes long.
Data: <@ > 40 E9 C5 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000194D4ED1E60, 16 bytes long.
Data: < W > F8 57 C2 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000194D4ED15F0, 16 bytes long.
Data: < W > D8 57 C2 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000194D4ED1FA0, 16 bytes long.
Data: <P > 50 04 C2 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000194D4ED19B0, 16 bytes long.
Data: <0 > 30 04 C2 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000194D4ED1F00, 16 bytes long.
Data: < > E0 02 C2 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000194D4ED2270, 16 bytes long.
Data: < > 10 04 C2 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000194D4ED2130, 16 bytes long.
Data: <p > 70 04 C2 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000194D4ED1730, 16 bytes long.
Data: < > 18 C0 C0 8B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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