| Name | test_500-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8896_0 |
| Workunit | 31632208 |
| Created | 29 Oct 2026, 11:44:41 UTC |
| Sent | 29 Oct 2026, 11:44:46 UTC |
| Report deadline | 3 Nov 2026, 11:44:46 UTC |
| Received | 4 Nov 2026, 10:54:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646146 |
| Run time | 2 hours 3 min 36 sec |
| CPU time | 2 hours 1 min 11 sec |
| Validate state | Task was reported too late to validate |
| Credit | 0.00 |
| Device peak FLOPS | 1,130.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 1.06 GB |
| Peak swap size | 6.68 GB |
| Peak disk usage | 3.03 GB |
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:32:29 (23144): wrapper (7.9.26016): starting
12:32:29 (23144): 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
12:32:30 (23144): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:32:30 (23144): 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\1\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\1\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) : {3835102} normal block at 0x00000277A0F8FFA0, 8 bytes long.
Data: < w > 00 00 9F A2 77 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x00000277A2CC5820, 1080 bytes long.
Data: <l/ > 6C 2F 00 00 CD CD CD CD 90 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000277A0F86730, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:01:28 (8556): wrapper (7.9.26016): starting
13:01:28 (8556): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x00000137FFDF57C0, 8 bytes long.
Data: < ' 7 > 00 00 27 80 37 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000137FFDF66A0, 1080 bytes long.
Data: < C ( > BC 43 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
14:45:03 (9584): wrapper (7.9.26016): starting
14:45:03 (9584): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x00000166365855E0, 8 bytes long.
Data: < 6f > 00 00 A4 36 66 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000166365866A0, 1080 bytes long.
Data: < O D > D8 4F 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
15:28:56 (13228): wrapper (7.9.26016): starting
15:28:56 (13228): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x000002545C045A90, 8 bytes long.
Data: < ]\T > 00 00 5D 5C 54 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000002545C0466A0, 1080 bytes long.
Data: <@S H > 40 53 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:33:53 (20380): wrapper (7.9.26016): starting
11:33:53 (20380): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x0000018BFBF35810, 8 bytes long.
Data: < G > 00 00 47 FC 8B 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000018BFBF366A0, 1080 bytes long.
Data: <xK H > 78 4B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:14:42 (3716): wrapper (7.9.26016): starting
12:14:42 (3716): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x000001ACE85C5630, 8 bytes long.
Data: < > 00 00 A5 E8 AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001ACE85C66A0, 1080 bytes long.
Data: < 0 > 20 11 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
Object dump complete.
12:42:53 (21136): wrapper (7.9.26016): starting
12:42:53 (21136): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x000001DEDC025360, 8 bytes long.
Data: < > 00 00 FF DB DE 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001DEDC0266A0, 1080 bytes long.
Data: < J H > 88 4A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:36:17 (8296): wrapper (7.9.26016): starting
11:36:17 (8296): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x0000026287C457D0, 8 bytes long.
Data: < b > 00 00 1D 88 62 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000026287C46660, 1080 bytes long.
Data: <X3 L > 58 33 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
12:16:37 (13788): wrapper (7.9.26016): starting
12:16:37 (13788): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x000002689E3A5B90, 8 bytes long.
Data: < h > 00 00 81 9E 68 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000002689E3A6660, 1080 bytes long.
Data: <P> H > 50 3E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:01:02 (19380): wrapper (7.9.26016): starting
13:01:02 (19380): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1446} normal block at 0x000001B556995F00, 8 bytes long.
Data: < >X > 00 00 3E 58 B5 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001B556996660, 1080 bytes long.
Data: < < ` > A8 3C 00 00 CD CD CD CD 60 00 00 00 00 00 00 00
Object dump complete.
09:58:21 (4168): wrapper (7.9.26016): starting
09:58:21 (4168): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1444} normal block at 0x0000021682714E70, 8 bytes long.
Data: < > 00 00 C7 82 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000021682715C60, 1080 bytes long.
Data: < V L > E8 56 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
11:15:23 (19364): wrapper (7.9.26016): starting
11:15:23 (19364): 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\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1444} normal block at 0x00000263E96B4A10, 8 bytes long.
Data: < c > 00 00 B4 E9 63 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000263E96B5C60, 1080 bytes long.
Data: < D 4 > A4 44 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
Object dump complete.
11:47:41 (20424): wrapper (7.9.26016): starting
11:47:41 (20424): 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\1\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
11:53:40 (20424): C:/Windows/system32/cmd.exe exited; CPU time 341.500000
11:53:40 (20424): 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: 5686736 bytes.
Dumping objects ->
{1532} normal block at 0x0000029758234380, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1521} normal block at 0x00000297582344D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1510} normal block at 0x0000029758234690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1499} normal block at 0x0000029758234620, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1488} normal block at 0x0000029758234540, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1457} normal block at 0x0000029758229640, 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) : {1444} normal block at 0x00000297582350A0, 8 bytes long.
Data: < pX > 00 00 70 58 97 02 00 00
{305} normal block at 0x0000029758234EC0, 8 bytes long.
Data: <`\#X > 60 5C 23 58 97 02 00 00
{296} normal block at 0x00000297582267D0, 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 0x00000297582355F0, 16 bytes long.
Data: <h[#X > 68 5B 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029758235050, 16 bytes long.
Data: <@[#X > 40 5B 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029758230690, 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 0x0000029758235280, 16 bytes long.
Data: < [#X > 18 5B 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029758235000, 16 bytes long.
Data: < Z#X > F0 5A 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029758235550, 16 bytes long.
Data: < Z#X > C8 5A 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029758234F10, 16 bytes long.
Data: < Z#X > A0 5A 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000297582345B0, 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 0x0000029758234970, 16 bytes long.
Data: <x !X > 78 B5 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000297582301B0, 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 0x0000029758235500, 16 bytes long.
Data: <P !X > 50 B5 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000297582354B0, 16 bytes long.
Data: <( !X > 28 B5 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000297582351E0, 16 bytes long.
Data: < !X > 00 B5 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029758234A60, 16 bytes long.
Data: < !X > D8 B4 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029758235730, 16 bytes long.
Data: < !X > B0 B4 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029758234FB0, 16 bytes long.
Data: < !X > 88 B4 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029758230BD0, 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 0x0000029758235320, 16 bytes long.
Data: <` !X > 60 B4 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002975821B460, 320 bytes long.
Data: < S#X #X > 20 53 23 58 97 02 00 00 D0 0B 23 58 97 02 00 00
{275} normal block at 0x0000029758234880, 16 bytes long.
Data: < Z#X > 80 5A 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029758234920, 16 bytes long.
Data: <XZ#X > 58 5A 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002975822FEB0, 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 0x0000029758234D80, 16 bytes long.
Data: <0Z#X > 30 5A 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029758230990, 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 0x0000029758234E70, 16 bytes long.
Data: <xY#X > 78 59 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000297582352D0, 16 bytes long.
Data: <PY#X > 50 59 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029758234F60, 16 bytes long.
Data: <(Y#X > 28 59 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029758235140, 16 bytes long.
Data: < Y#X > 00 59 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029758235370, 16 bytes long.
Data: < X#X > D8 58 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000297582356E0, 16 bytes long.
Data: < X#X > B0 58 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000297582350F0, 16 bytes long.
Data: < A#X > C0 41 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000297582341C0, 40 bytes long.
Data: < P#X @ "X > F0 50 23 58 97 02 00 00 40 96 22 58 97 02 00 00
{261} normal block at 0x00000297582353C0, 16 bytes long.
Data: < X#X > 90 58 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000297582348D0, 16 bytes long.
Data: <hX#X > 68 58 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029758230150, 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 0x0000029758234E20, 16 bytes long.
Data: <@X#X > 40 58 23 58 97 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000029758235840, 992 bytes long.
Data: < N#X P #X > 20 4E 23 58 97 02 00 00 50 01 23 58 97 02 00 00
{93} normal block at 0x0000029758230A50, 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 0x000002975822F120, 16 bytes long.
Data: <` !X > 60 E5 21 58 97 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002975821E560, 40 bytes long.
Data: < "X P #X > 20 F1 22 58 97 02 00 00 50 0A 23 58 97 02 00 00
{70} normal block at 0x000002975822F8F0, 16 bytes long.
Data: < iL > 80 EA 69 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002975822EF40, 16 bytes long.
Data: <@ iL > 40 E9 69 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002975822ED10, 16 bytes long.
Data: < WfL > F8 57 66 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002975822F850, 16 bytes long.
Data: < WfL > D8 57 66 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002975822F260, 16 bytes long.
Data: <P fL > 50 04 66 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002975822F940, 16 bytes long.
Data: <0 fL > 30 04 66 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002975822EFE0, 16 bytes long.
Data: < fL > E0 02 66 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002975822EEF0, 16 bytes long.
Data: < fL > 10 04 66 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002975822F210, 16 bytes long.
Data: <p fL > 70 04 66 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002975822F300, 16 bytes long.
Data: < dL > 18 C0 64 4C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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