| Name | test_126-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9485_1 |
| Workunit | 31607524 |
| Created | 26 Oct 2026, 0:05:20 UTC |
| Sent | 26 Oct 2026, 0:05:23 UTC |
| Report deadline | 31 Oct 2026, 0:05:23 UTC |
| Received | 26 Oct 2026, 11:55:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646373 |
| Run time | 4 hours 37 min 30 sec |
| CPU time | 4 hours 37 min 15 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.25 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 2.97 GB |
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:12:31 (12300): wrapper (7.9.26016): starting
20:12:31 (12300): 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
20:12:32 (12300): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:12:32 (12300): 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) : {3835426} normal block at 0x00000243AD47EC30, 8 bytes long.
Data: < C > 00 00 9D AD 43 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000243AF144620, 1080 bytes long.
Data: < K x > B4 4B 00 00 CD CD CD CD 78 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000243AD480700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:15:24 (7032): wrapper (7.9.26016): starting
20:15:24 (7032): 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) : {1772} normal block at 0x000001F9F3E95CD0, 8 bytes long.
Data: < 7 > 00 00 37 F4 F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F9F3E964D0, 1080 bytes long.
Data: < 3 L > D8 33 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
20:18:10 (7760): wrapper (7.9.26016): starting
20:18:10 (7760): 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) : {1772} normal block at 0x0000015A880E6800, 8 bytes long.
Data: < Z > 00 00 06 88 5A 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000015A880E7370, 1080 bytes long.
Data: <p( , > 70 28 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
20:20:38 (18400): wrapper (7.9.26016): starting
20:20:38 (18400): 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) : {1772} normal block at 0x000001B1C5437030, 8 bytes long.
Data: < > 00 00 A9 C5 B1 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001B1C5438140, 1080 bytes long.
Data: < H > 18 10 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:24:50 (18720): wrapper (7.9.26016): starting
20:24:50 (18720): 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) : {1772} normal block at 0x000001F0CC845570, 8 bytes long.
Data: < > 00 00 D7 CC F0 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F0CC845FF0, 1080 bytes long.
Data: < F H > B0 46 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:33:45 (6960): wrapper (7.9.26016): starting
20:33:45 (6960): 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) : {1772} normal block at 0x0000018939D35C50, 8 bytes long.
Data: < #: > 00 00 23 3A 89 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000018939D36540, 1080 bytes long.
Data: < . H > A8 2E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:38:22 (17704): wrapper (7.9.26016): starting
20:38:22 (17704): 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.
20:51:29 (5508): wrapper (7.9.26016): starting
20:51:29 (5508): 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) : {1772} normal block at 0x000001E6C85E5510, 8 bytes long.
Data: < > 00 00 A2 C8 E6 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001E6C85E6260, 1080 bytes long.
Data: < > H > C0 3E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:52:51 (16900): wrapper (7.9.26016): starting
20:52:51 (16900): 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) : {1772} normal block at 0x000001DFE5015C90, 8 bytes long.
Data: < > 00 00 FE E4 DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001DFE5016580, 1080 bytes long.
Data: < - H > C8 2D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
21:09:05 (5492): wrapper (7.9.26016): starting
21:09:05 (5492): 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) : {1772} normal block at 0x00000219DAC45B00, 8 bytes long.
Data: < > 00 00 1A DB 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000219DAC46580, 1080 bytes long.
Data: < L > 98 1C 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
02:59:32 (6664): wrapper (7.9.26016): starting
02:59:32 (6664): 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) : {1772} normal block at 0x000002025BF65AB0, 8 bytes long.
Data: < F\ > 00 00 46 5C 02 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002025BF66580, 1080 bytes long.
Data: < K T > B4 4B 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
03:21:14 (3108): wrapper (7.9.26016): starting
03:21:14 (3108): 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) : {1772} normal block at 0x0000028387D95A90, 8 bytes long.
Data: < > 00 00 D4 87 83 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000028387D963D0, 1080 bytes long.
Data: < % P > 18 25 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
03:31:30 (9820): wrapper (7.9.26016): starting
03:31:30 (9820): 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
07:54:59 (9820): C:/Windows/system32/cmd.exe exited; CPU time 15388.906250
07:54:59 (9820): 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: 237899058 bytes.
Dumping objects ->
{1860} normal block at 0x0000026B77234790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1849} normal block at 0x0000026B772348E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1838} normal block at 0x0000026B772345D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1827} normal block at 0x0000026B77234410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1816} normal block at 0x0000026B77234870, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1785} normal block at 0x0000026B7721EF00, 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) : {1772} normal block at 0x0000026B77235000, 8 bytes long.
Data: < Zwk > 00 00 5A 77 6B 02 00 00
{305} normal block at 0x0000026B77235140, 8 bytes long.
Data: < c#wk > 90 63 23 77 6B 02 00 00
{296} normal block at 0x0000026B772260D0, 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 0x0000026B772352D0, 16 bytes long.
Data: < b#wk > 98 62 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026B772350F0, 16 bytes long.
Data: <pb#wk > 70 62 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026B7722F950, 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 0x0000026B772355F0, 16 bytes long.
Data: <Hb#wk > 48 62 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026B77235460, 16 bytes long.
Data: < b#wk > 20 62 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026B77235CD0, 16 bytes long.
Data: < a#wk > F8 61 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026B77235910, 16 bytes long.
Data: < a#wk > D0 61 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026B77234800, 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 0x0000026B77235500, 16 bytes long.
Data: < "wk > B8 8D 22 77 6B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026B7722FCB0, 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 0x0000026B77235BE0, 16 bytes long.
Data: < "wk > 90 8D 22 77 6B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026B77235730, 16 bytes long.
Data: <h "wk > 68 8D 22 77 6B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026B77234FB0, 16 bytes long.
Data: <@ "wk > 40 8D 22 77 6B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026B772354B0, 16 bytes long.
Data: < "wk > 18 8D 22 77 6B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026B77235B40, 16 bytes long.
Data: < "wk > F0 8C 22 77 6B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026B77235AF0, 16 bytes long.
Data: < "wk > C8 8C 22 77 6B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026B77230130, 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 0x0000026B772356E0, 16 bytes long.
Data: < "wk > A0 8C 22 77 6B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026B77228CA0, 320 bytes long.
Data: < V#wk 0 #wk > E0 56 23 77 6B 02 00 00 30 01 23 77 6B 02 00 00
{275} normal block at 0x0000026B772357D0, 16 bytes long.
Data: < a#wk > B0 61 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026B77235690, 16 bytes long.
Data: < a#wk > 88 61 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026B7722F890, 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 0x0000026B772355A0, 16 bytes long.
Data: <`a#wk > 60 61 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026B7722FE30, 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 0x0000026B77235C80, 16 bytes long.
Data: < `#wk > A8 60 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026B77235F00, 16 bytes long.
Data: < `#wk > 80 60 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026B77235A00, 16 bytes long.
Data: <X`#wk > 58 60 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026B77235640, 16 bytes long.
Data: <0`#wk > 30 60 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026B77235870, 16 bytes long.
Data: < `#wk > 08 60 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026B77235960, 16 bytes long.
Data: < _#wk > E0 5F 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026B77235E60, 16 bytes long.
Data: < D#wk > 80 44 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026B77234480, 40 bytes long.
Data: <`^#wk !wk > 60 5E 23 77 6B 02 00 00 00 EF 21 77 6B 02 00 00
{261} normal block at 0x0000026B77235320, 16 bytes long.
Data: < _#wk > C0 5F 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026B77235C30, 16 bytes long.
Data: < _#wk > 98 5F 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026B772302B0, 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 0x0000026B77235EB0, 16 bytes long.
Data: <p_#wk > 70 5F 23 77 6B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026B77235F70, 992 bytes long.
Data: < ^#wk #wk > B0 5E 23 77 6B 02 00 00 B0 02 23 77 6B 02 00 00
{93} normal block at 0x0000026B7722F8F0, 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 0x0000026B7722F360, 16 bytes long.
Data: < !wk > A0 D3 21 77 6B 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000026B7721D3A0, 40 bytes long.
Data: <` "wk "wk > 60 F3 22 77 6B 02 00 00 F0 F8 22 77 6B 02 00 00
{70} normal block at 0x0000026B7722ED20, 16 bytes long.
Data: < < > 80 EA 3C F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026B7722EA00, 16 bytes long.
Data: <@ < > 40 E9 3C F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026B7722EB40, 16 bytes long.
Data: < W9 > F8 57 39 F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026B7722EE10, 16 bytes long.
Data: < W9 > D8 57 39 F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026B7722E9B0, 16 bytes long.
Data: <P 9 > 50 04 39 F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026B7722F270, 16 bytes long.
Data: <0 9 > 30 04 39 F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026B7722F090, 16 bytes long.
Data: < 9 > E0 02 39 F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026B7722F220, 16 bytes long.
Data: < 9 > 10 04 39 F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026B7722EFF0, 16 bytes long.
Data: <p 9 > 70 04 39 F7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026B7722E910, 16 bytes long.
Data: < 7 > 18 C0 37 F7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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