Task 38678307
| Name | test_999-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND0548_0 |
| Workunit | 31620133 |
| Created | 26 Oct 2026, 17:00:48 UTC |
| Sent | 26 Oct 2026, 17:00:53 UTC |
| Report deadline | 31 Oct 2026, 17:00:53 UTC |
| Received | 26 Oct 2026, 20:09:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640055 |
| Run time | 18 min 49 sec |
| CPU time | 18 min 37 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 46,380.59 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.66 MB |
| Peak swap size | 11.49 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:22:26 (17232): wrapper (7.9.26016): starting
20:22:26 (17232): 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
20:22:27 (17232): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:22:27 (17232): 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) : {3835108} normal block at 0x00000270DC1FFDE0, 8 bytes long.
Data: < p > 00 00 1D DC 70 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000270DE044E30, 1080 bytes long.
Data: < 4 > CC 18 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000270DC1EFAE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:24:59 (8964): wrapper (7.9.26016): starting
20:24:59 (8964): 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\14\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\14\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) : {1454} normal block at 0x00000248FA765E20, 8 bytes long.
Data: < n H > 00 00 6E FA 48 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000248FA7668F0, 1080 bytes long.
Data: < H > 94 0C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:33:34 (21268): wrapper (7.9.26016): starting
20:33:34 (21268): 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\14\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001C378B362D0, 8 bytes long.
Data: < x > 00 00 F2 78 C3 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001C378B36990, 1080 bytes long.
Data: <,W H > 2C 57 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:51:04 (11380): wrapper (7.9.26016): starting
20:51:04 (11380): 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\14\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
21:08:49 (11380): C:/Windows/system32/cmd.exe exited; CPU time 1065.750000
21:08:49 (11380): 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: 18343961 bytes.
Dumping objects ->
{1542} normal block at 0x00000279FE844900, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x00000279FE844DD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x00000279FE8446D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x00000279FE8449E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x00000279FE844890, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x00000279FE83A110, 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) : {1454} normal block at 0x00000279FE846320, 8 bytes long.
Data: < y > 00 00 D0 FE 79 02 00 00
{305} normal block at 0x00000279FE8462D0, 8 bytes long.
Data: < h y > F0 68 84 FE 79 02 00 00
{296} normal block at 0x00000279FE837D70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000279FE845D80, 16 bytes long.
Data: < g y > F8 67 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000279FE845E20, 16 bytes long.
Data: < g y > D0 67 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000279FE841410, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000279FE8457E0, 16 bytes long.
Data: < g y > A8 67 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000279FE845C40, 16 bytes long.
Data: < g y > 80 67 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000279FE8455B0, 16 bytes long.
Data: <Xg y > 58 67 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000279FE845BA0, 16 bytes long.
Data: <0g y > 30 67 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000279FE844820, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000279FE845790, 16 bytes long.
Data: <( y > 28 FE 82 FE 79 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000279FE841170, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000279FE846460, 16 bytes long.
Data: < y > 00 FE 82 FE 79 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000279FE845B00, 16 bytes long.
Data: < y > D8 FD 82 FE 79 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000279FE845560, 16 bytes long.
Data: < y > B0 FD 82 FE 79 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000279FE845740, 16 bytes long.
Data: < y > 88 FD 82 FE 79 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000279FE846000, 16 bytes long.
Data: <` y > 60 FD 82 FE 79 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000279FE845600, 16 bytes long.
Data: <8 y > 38 FD 82 FE 79 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000279FE8416B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000279FE845AB0, 16 bytes long.
Data: < y > 10 FD 82 FE 79 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000279FE82FD10, 320 bytes long.
Data: < Z y y > B0 5A 84 FE 79 02 00 00 B0 16 84 FE 79 02 00 00
{275} normal block at 0x00000279FE845A60, 16 bytes long.
Data: < g y > 10 67 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000279FE8459C0, 16 bytes long.
Data: < f y > E8 66 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000279FE841650, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000279FE845BF0, 16 bytes long.
Data: < f y > C0 66 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000279FE840ED0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000279FE8456A0, 16 bytes long.
Data: < f y > 08 66 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000279FE8463C0, 16 bytes long.
Data: < e y > E0 65 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000279FE846230, 16 bytes long.
Data: < e y > B8 65 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000279FE8461E0, 16 bytes long.
Data: < e y > 90 65 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000279FE845A10, 16 bytes long.
Data: <he y > 68 65 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000279FE8456F0, 16 bytes long.
Data: <@e y > 40 65 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000279FE846140, 16 bytes long.
Data: < G y > B0 47 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000279FE8447B0, 40 bytes long.
Data: <@a y y > 40 61 84 FE 79 02 00 00 10 A1 83 FE 79 02 00 00
{261} normal block at 0x00000279FE845B50, 16 bytes long.
Data: < e y > 20 65 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000279FE845FB0, 16 bytes long.
Data: < d y > F8 64 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000279FE840870, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000279FE846410, 16 bytes long.
Data: < d y > D0 64 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000279FE8464D0, 992 bytes long.
Data: < d y p y > 10 64 84 FE 79 02 00 00 70 08 84 FE 79 02 00 00
{93} normal block at 0x00000279FE840E70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000279FE8400B0, 16 bytes long.
Data: <`M y > 60 4D 84 FE 79 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000279FE844D60, 40 bytes long.
Data: < y p y > B0 00 84 FE 79 02 00 00 70 0E 84 FE 79 02 00 00
{70} normal block at 0x00000279FE83F980, 16 bytes long.
Data: < u8 > 80 EA 75 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000279FE840240, 16 bytes long.
Data: <@ u8 > 40 E9 75 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000279FE83F840, 16 bytes long.
Data: < Wr8 > F8 57 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000279FE8406A0, 16 bytes long.
Data: < Wr8 > D8 57 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000279FE83FD40, 16 bytes long.
Data: <P r8 > 50 04 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000279FE83FCF0, 16 bytes long.
Data: <0 r8 > 30 04 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000279FE83FC00, 16 bytes long.
Data: < r8 > E0 02 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000279FE840650, 16 bytes long.
Data: < r8 > 10 04 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000279FE83FE30, 16 bytes long.
Data: <p r8 > 70 04 72 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000279FE83FDE0, 16 bytes long.
Data: < p8 > 18 C0 70 38 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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