Task 38672506
| Name | test_26-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4723_0 |
| Workunit | 31614642 |
| Created | 25 Oct 2026, 23:36:55 UTC |
| Sent | 25 Oct 2026, 23:37:02 UTC |
| Report deadline | 30 Oct 2026, 23:37:02 UTC |
| Received | 26 Oct 2026, 8:51:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637963 |
| Run time | 48 min 50 sec |
| CPU time | 48 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.02 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:41:40 (27732): wrapper (7.9.26016): starting
22:41:40 (27732): 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
22:41:42 (27732): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:41:42 (27732): 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) : {3835363} normal block at 0x00000222833DDB70, 8 bytes long.
Data: < " > 00 00 81 83 22 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x0000022283409740, 1080 bytes long.
Data: < @ > 14 40 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000222833E1EF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:43:56 (30196): wrapper (7.9.26016): starting
22:43:56 (30196): 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\15\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\15\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) : {1703} normal block at 0x00000175ACB35BE0, 8 bytes long.
Data: < u > 00 00 AE AC 75 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000175ACB36A70, 1080 bytes long.
Data: < ' > B0 27 00 00 CD CD CD CD B4 00 00 00 00 00 00 00
Object dump complete.
23:07:46 (22816): wrapper (7.9.26016): starting
23:07:46 (22816): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x00000177D9DD68B0, 8 bytes long.
Data: < ( w > 00 00 28 DA 77 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000177D9DD6DE0, 1080 bytes long.
Data: < w P > C4 77 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
23:11:01 (30424): wrapper (7.9.26016): starting
23:11:01 (30424): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x0000017FED135D70, 8 bytes long.
Data: < h > 00 00 68 ED 7F 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000017FED136DE0, 1080 bytes long.
Data: < L > EC 13 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
23:25:50 (31144): wrapper (7.9.26016): starting
23:25:50 (31144): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x0000019E7FC15120, 8 bytes long.
Data: < > 00 00 81 01 9E 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000019E7FC162D0, 1080 bytes long.
Data: < D > D0 17 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
23:30:52 (23960): wrapper (7.9.26016): starting
23:30:52 (23960): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x00000223CD426720, 8 bytes long.
Data: < # > 00 00 A1 CD 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000223CD426DE0, 1080 bytes long.
Data: < w < > A0 77 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00
Object dump complete.
23:38:28 (11188): wrapper (7.9.26016): starting
23:38:28 (11188): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x000001A90BB55B90, 8 bytes long.
Data: < > 00 00 05 0C A9 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001A90BB56DE0, 1080 bytes long.
Data: < > E4 0A 00 00 CD CD CD CD B4 00 00 00 00 00 00 00
Object dump complete.
00:11:56 (3080): wrapper (7.9.26016): starting
00:11:56 (3080): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x0000026F94286680, 8 bytes long.
Data: < ~ o > 00 00 7E 94 6F 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000026F94286DE0, 1080 bytes long.
Data: < $ P > 9C 24 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
00:48:53 (12504): wrapper (7.9.26016): starting
00:48:53 (12504): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x000001BB8F1B6310, 8 bytes long.
Data: < U > 00 00 55 8F BB 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001BB8F1B6DE0, 1080 bytes long.
Data: < n T > C8 6E 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
02:21:34 (472): wrapper (7.9.26016): starting
02:21:34 (472): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x0000024564BF5EB0, 8 bytes long.
Data: < eE > 00 00 14 65 45 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000024564BF6DE0, 1080 bytes long.
Data: < b D > E4 62 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
02:47:38 (16248): wrapper (7.9.26016): starting
02:47:38 (16248): 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\15\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x000001F5EDD65E60, 8 bytes long.
Data: < > 00 00 1F EE F5 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001F5EDD66DE0, 1080 bytes long.
Data: <$X L > 24 58 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
04:05:09 (31716): wrapper (7.9.26016): starting
04:05:09 (31716): 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\15\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
04:50:41 (31716): C:/Windows/system32/cmd.exe exited; CPU time 2661.187500
04:50:41 (31716): 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: 44229983 bytes.
Dumping objects ->
{1791} normal block at 0x0000023957F44FB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1780} normal block at 0x0000023957F454F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1769} normal block at 0x0000023957F451E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1758} normal block at 0x0000023957F45090, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1747} normal block at 0x0000023957F45330, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1716} normal block at 0x0000023957F302E0, 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) : {1703} normal block at 0x0000023957F466D0, 8 bytes long.
Data: < CX9 > 00 00 43 58 39 02 00 00
{311} normal block at 0x0000023957F46590, 8 bytes long.
Data: < m W9 > E0 6D F4 57 39 02 00 00
{302} normal block at 0x0000023957F365F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000023957F46130, 16 bytes long.
Data: < l W9 > E8 6C F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000023957F45F50, 16 bytes long.
Data: < l W9 > C0 6C F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000023957F3FC00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000023957F46040, 16 bytes long.
Data: < l W9 > 98 6C F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023957F46360, 16 bytes long.
Data: <pl W9 > 70 6C F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023957F46540, 16 bytes long.
Data: <Hl W9 > 48 6C F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023957F45F00, 16 bytes long.
Data: < l W9 > 20 6C F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023957F45170, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000023957F45A00, 16 bytes long.
Data: < W9 > D8 F6 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023957F3F7E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000023957F45B90, 16 bytes long.
Data: < W9 > B0 F6 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023957F46680, 16 bytes long.
Data: < W9 > 88 F6 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023957F45D20, 16 bytes long.
Data: <` W9 > 60 F6 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023957F45E60, 16 bytes long.
Data: <8 W9 > 38 F6 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023957F45AA0, 16 bytes long.
Data: < W9 > 10 F6 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023957F45EB0, 16 bytes long.
Data: < W9 > E8 F5 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023957F3F4E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000023957F46860, 16 bytes long.
Data: < W9 > C0 F5 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023957F2F5C0, 320 bytes long.
Data: <`h W9 W9 > 60 68 F4 57 39 02 00 00 E0 F4 F3 57 39 02 00 00
{281} normal block at 0x0000023957F46810, 16 bytes long.
Data: < l W9 > 00 6C F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023957F465E0, 16 bytes long.
Data: < k W9 > D8 6B F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023957F3FB40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000023957F45A50, 16 bytes long.
Data: < k W9 > B0 6B F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023957F3FCC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000023957F45E10, 16 bytes long.
Data: < j W9 > F8 6A F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023957F460E0, 16 bytes long.
Data: < j W9 > D0 6A F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023957F45D70, 16 bytes long.
Data: < j W9 > A8 6A F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023957F46630, 16 bytes long.
Data: < j W9 > 80 6A F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023957F46950, 16 bytes long.
Data: <Xj W9 > 58 6A F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023957F45DC0, 16 bytes long.
Data: <0j W9 > 30 6A F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023957F45C80, 16 bytes long.
Data: < M W9 > F0 4D F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023957F44DF0, 40 bytes long.
Data: < \ W9 W9 > 80 5C F4 57 39 02 00 00 E0 02 F3 57 39 02 00 00
{267} normal block at 0x0000023957F46270, 16 bytes long.
Data: < j W9 > 10 6A F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023957F464A0, 16 bytes long.
Data: < i W9 > E8 69 F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023957F3F900, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000023957F46900, 16 bytes long.
Data: < i W9 > C0 69 F4 57 39 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023957F469C0, 992 bytes long.
Data: < i W9 W9 > 00 69 F4 57 39 02 00 00 00 F9 F3 57 39 02 00 00
{99} normal block at 0x0000023957F3F780, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000023957F3D940, 16 bytes long.
Data: <p W9 > 70 E9 F2 57 39 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000023957F2E970, 40 bytes long.
Data: <@ W9 W9 > 40 D9 F3 57 39 02 00 00 80 F7 F3 57 39 02 00 00
{76} normal block at 0x0000023957F3D710, 16 bytes long.
Data: < > 80 EA D3 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000023957F3DBC0, 16 bytes long.
Data: <@ > 40 E9 D3 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000023957F3DA30, 16 bytes long.
Data: < W > F8 57 D0 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023957F3DB70, 16 bytes long.
Data: < W > D8 57 D0 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023957F3DB20, 16 bytes long.
Data: <P > 50 04 D0 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023957F3E480, 16 bytes long.
Data: <0 > 30 04 D0 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023957F3E020, 16 bytes long.
Data: < > E0 02 D0 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023957F3DDF0, 16 bytes long.
Data: < > 10 04 D0 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023957F3DFD0, 16 bytes long.
Data: <p > 70 04 D0 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023957F3D6C0, 16 bytes long.
Data: < > 18 C0 CE 87 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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