| Name | test_711-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2206_0 |
| Workunit | 31627191 |
| Created | 27 Oct 2026, 22:37:04 UTC |
| Sent | 27 Oct 2026, 22:37:08 UTC |
| Report deadline | 1 Nov 2026, 22:37:08 UTC |
| Received | 28 Oct 2026, 1:24:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617663 |
| Run time | 1 hours 45 min 42 sec |
| CPU time | 1 hours 45 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 687.43 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:38:07 (27572): wrapper (7.9.26016): starting
17:38:07 (27572): 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
17:38:08 (27572): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:38:08 (27572): 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 'F:\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 'F:\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) : {3835106} normal block at 0x0000029EF932F480, 8 bytes long.
Data: < k > 00 00 6B F9 9E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000029EF931E010, 1080 bytes long.
Data: < g 8 > A8 67 00 00 CD CD CD CD 38 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000029EF93273C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:42:14 (10716): wrapper (7.9.26016): starting
17:42:14 (10716): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000002D957887080, 8 bytes long.
Data: < W > 00 00 C4 57 D9 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002D957887690, 1080 bytes long.
Data: <0E X > 30 45 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
18:20:32 (13840): wrapper (7.9.26016): starting
18:20:32 (13840): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000001AC42757050, 8 bytes long.
Data: < B > 00 00 B2 42 AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001AC42757250, 1080 bytes long.
Data: <LX H > 4C 58 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
18:27:44 (22724): wrapper (7.9.26016): starting
18:27:44 (22724): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000002C7DCE07620, 8 bytes long.
Data: < > 00 00 12 DD C7 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002C7DCE07690, 1080 bytes long.
Data: < k H > CC 6B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
18:32:52 (16688): wrapper (7.9.26016): starting
18:32:52 (16688): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x00000212F1717030, 8 bytes long.
Data: < > 00 00 BC F1 12 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000212F1717690, 1080 bytes long.
Data: < ? > A0 3F 00 00 CD CD CD CD C0 00 00 00 00 00 00 00
Object dump complete.
18:55:39 (31804): wrapper (7.9.26016): starting
18:55:39 (31804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000001FC9B0773F0, 8 bytes long.
Data: < K > 00 00 4B 9B FC 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001FC9B077690, 1080 bytes long.
Data: <tL H > 74 4C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:29:55 (2068): wrapper (7.9.26016): starting
19:29:55 (2068): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000001A7823B6420, 8 bytes long.
Data: < > 00 00 84 82 A7 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001A7823B7250, 1080 bytes long.
Data: <`W P > 60 57 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
19:35:04 (11460): wrapper (7.9.26016): starting
19:35:04 (11460): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x0000017774857180, 8 bytes long.
Data: < tw > 00 00 E9 74 77 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000017774857650, 1080 bytes long.
Data: < g P > 10 67 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
19:39:14 (7936): wrapper (7.9.26016): starting
19:39:14 (7936): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000002B6A30469F0, 8 bytes long.
Data: < L > 00 00 4C A3 B6 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002B6A3047690, 1080 bytes long.
Data: < j H > C0 6A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:43:55 (34184): wrapper (7.9.26016): starting
19:43:55 (34184): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x0000021374CA6960, 8 bytes long.
Data: < u > 00 00 13 75 13 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000021374CA7240, 1080 bytes long.
Data: < ; P > A8 3B 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
19:59:23 (9272): wrapper (7.9.26016): starting
19:59:23 (9272): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000001DFE68F7160, 8 bytes long.
Data: < > 00 00 DA E6 DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001DFE68F7270, 1080 bytes long.
Data: <Xf P > 58 66 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
20:12:47 (5868): wrapper (7.9.26016): starting
20:12:47 (5868): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x0000024745856FE0, 8 bytes long.
Data: < EG > 00 00 D0 45 47 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000024745857690, 1080 bytes long.
Data: <dL H > 64 4C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:17:55 (27260): wrapper (7.9.26016): starting
20:17:55 (27260): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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
20:23:46 (27260): C:/Windows/system32/cmd.exe exited; CPU time 311.843750
20:23:46 (27260): 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: 6906842 bytes.
Dumping objects ->
{1540} normal block at 0x000001727BE252C0, 48 bytes long.
Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x000001727BE25410, 48 bytes long.
Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1518} normal block at 0x000001727BE255D0, 48 bytes long.
Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61
{1507} normal block at 0x000001727BE25250, 48 bytes long.
Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1496} normal block at 0x000001727BE251E0, 48 bytes long.
Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61
{1465} normal block at 0x000001727BE11250, 64 bytes long.
Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1452} normal block at 0x000001727BE26EA0, 8 bytes long.
Data: < {r > 00 00 DE 7B 72 01 00 00
{305} normal block at 0x000001727BE26AE0, 8 bytes long.
Data: < s {r > 20 73 E2 7B 72 01 00 00
{296} normal block at 0x000001727BE10C10, 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 0x000001727BE26A90, 16 bytes long.
Data: < b {r > 18 62 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001727BE267C0, 16 bytes long.
Data: < a {r > F0 61 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001727BE20A50, 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 0x000001727BE26B30, 16 bytes long.
Data: < a {r > C8 61 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001727BE26C70, 16 bytes long.
Data: < a {r > A0 61 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001727BE26E50, 16 bytes long.
Data: <xa {r > 78 61 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001727BE269F0, 16 bytes long.
Data: <Pa {r > 50 61 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001727BE25800, 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 0x000001727BE26900, 16 bytes long.
Data: <h {r > 68 CE E0 7B 72 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001727BE20870, 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 0x000001727BE26E00, 16 bytes long.
Data: <@ {r > 40 CE E0 7B 72 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001727BE26DB0, 16 bytes long.
Data: < {r > 18 CE E0 7B 72 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001727BE263B0, 16 bytes long.
Data: < {r > F0 CD E0 7B 72 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001727BE27260, 16 bytes long.
Data: < {r > C8 CD E0 7B 72 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001727BE269A0, 16 bytes long.
Data: < {r > A0 CD E0 7B 72 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001727BE26D60, 16 bytes long.
Data: <x {r > 78 CD E0 7B 72 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001727BE20990, 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 0x000001727BE272B0, 16 bytes long.
Data: <P {r > 50 CD E0 7B 72 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001727BE0CD50, 320 bytes long.
Data: < r {r {r > B0 72 E2 7B 72 01 00 00 90 09 E2 7B 72 01 00 00
{275} normal block at 0x000001727BE26A40, 16 bytes long.
Data: <0a {r > 30 61 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001727BE26540, 16 bytes long.
Data: < a {r > 08 61 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001727BE213B0, 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 0x000001727BE26630, 16 bytes long.
Data: < ` {r > E0 60 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001727BE21230, 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 0x000001727BE26D10, 16 bytes long.
Data: <(` {r > 28 60 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001727BE26360, 16 bytes long.
Data: < ` {r > 00 60 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001727BE27210, 16 bytes long.
Data: < _ {r > D8 5F E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001727BE26950, 16 bytes long.
Data: < _ {r > B0 5F E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001727BE26CC0, 16 bytes long.
Data: < _ {r > 88 5F E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001727BE1E870, 16 bytes long.
Data: <`_ {r > 60 5F E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001727BE1ECD0, 16 bytes long.
Data: < T {r > F0 54 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001727BE254F0, 40 bytes long.
Data: < {r P {r > D0 EC E1 7B 72 01 00 00 50 12 E1 7B 72 01 00 00
{261} normal block at 0x000001727BE1EC30, 16 bytes long.
Data: <@_ {r > 40 5F E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001727BE1EA00, 16 bytes long.
Data: < _ {r > 18 5F E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001727BE20810, 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 0x000001727BE1E820, 16 bytes long.
Data: < ^ {r > F0 5E E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001727BE25EF0, 992 bytes long.
Data: < {r {r > 20 E8 E1 7B 72 01 00 00 10 08 E2 7B 72 01 00 00
{93} normal block at 0x000001727BE210B0, 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 0x000001727BE1EC80, 16 bytes long.
Data: <pQ {r > 70 51 E2 7B 72 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001727BE25170, 40 bytes long.
Data: < {r {r > 80 EC E1 7B 72 01 00 00 B0 10 E2 7B 72 01 00 00
{70} normal block at 0x000001727BE1EE10, 16 bytes long.
Data: < ' > 80 EA 27 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001727BE1F090, 16 bytes long.
Data: <@ ' > 40 E9 27 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001727BE1F4F0, 16 bytes long.
Data: < W$ > F8 57 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001727BE1E960, 16 bytes long.
Data: < W$ > D8 57 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001727BE1EA50, 16 bytes long.
Data: <P $ > 50 04 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001727BE1EF00, 16 bytes long.
Data: <0 $ > 30 04 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001727BE1F180, 16 bytes long.
Data: < $ > E0 02 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001727BE1F3B0, 16 bytes long.
Data: < $ > 10 04 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001727BE1EFF0, 16 bytes long.
Data: <p $ > 70 04 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001727BE1F360, 16 bytes long.
Data: < " > 18 C0 22 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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