Task 38662941
| Name | test_1629-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND6441_0 |
| Workunit | 31606173 |
| Created | 24 Oct 2026, 21:08:36 UTC |
| Sent | 24 Oct 2026, 21:08:45 UTC |
| Report deadline | 29 Oct 2026, 21:08:45 UTC |
| Received | 25 Oct 2026, 23:44:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641545 |
| Run time | 23 min 31 sec |
| CPU time | 23 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,562.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 699.25 MB |
| Peak swap size | 5.42 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:11:14 (49644): wrapper (7.9.26016): starting
22:11:14 (49644): 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
22:11:46 (49644): Library/usr/bin/tar.exe exited; CPU time 0.125000
22:11:46 (49644): 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 'E:\bonic2\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 'E:\bonic2\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) : {3835324} normal block at 0x000002590BBFBE70, 8 bytes long.
Data: < Y > 00 00 0C 0C 59 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x000002590D6CEAD0, 1080 bytes long.
Data: < > D0 C0 00 00 CD CD CD CD FC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000002590BC01080, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:41:50 (36640): wrapper (7.9.26016): starting
22:41:50 (36640): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001CAE0565400, 8 bytes long.
Data: < N > 00 00 4E E0 CA 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000001CAE0566140, 1080 bytes long.
Data: < D > CC C8 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
02:22:46 (59672): wrapper (7.9.26016): starting
02:22:46 (59672): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x00000241DCA46050, 8 bytes long.
Data: < A > 00 00 D2 DC 41 02 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x00000241DCA471B0, 1080 bytes long.
Data: < 0 > 88 EE 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
Object dump complete.
02:32:46 (36232): wrapper (7.9.26016): starting
02:32:46 (36232): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\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
02:46:54 (36232): C:/Windows/system32/cmd.exe exited; CPU time 795.484375
02:46:54 (36232): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 18372851 bytes.
Dumping objects ->
{1744} normal block at 0x00000169E2C30970, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1733} normal block at 0x00000169E2C2FC80, 32 bytes long.
Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1722} normal block at 0x00000169E2C2F980, 32 bytes long.
Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C
{1711} normal block at 0x00000169E2C2F920, 32 bytes long.
Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1700} normal block at 0x00000169E2C2FFE0, 32 bytes long.
Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32
{1669} normal block at 0x00000169E2C30820, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
..\api\boinc_api.cpp(309) : {1656} normal block at 0x00000169E2C373C0, 8 bytes long.
Data: < i > 00 00 02 E3 69 01 00 00
{319} normal block at 0x00000169E2C379B0, 8 bytes long.
Data: < i > 80 84 C3 E2 69 01 00 00
{310} normal block at 0x00000169E2C29B50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x00000169E2C37370, 16 bytes long.
Data: < i > 88 83 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000169E2C370F0, 16 bytes long.
Data: <` i > 60 83 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000169E2C2FE00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x00000169E2C37D20, 16 bytes long.
Data: <8 i > 38 83 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000169E2C37A50, 16 bytes long.
Data: < i > 10 83 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000169E2C37CD0, 16 bytes long.
Data: < i > E8 82 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000169E2C37EB0, 16 bytes long.
Data: < i > C0 82 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000169E2C30B30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x00000169E2C370A0, 16 bytes long.
Data: < i > D8 1E C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000169E2C2FDA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x00000169E2C37870, 16 bytes long.
Data: < i > B0 1E C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000169E2C37F50, 16 bytes long.
Data: < i > 88 1E C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000169E2C37C30, 16 bytes long.
Data: <` i > 60 1E C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000169E2C37820, 16 bytes long.
Data: <8 i > 38 1E C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000169E2C37780, 16 bytes long.
Data: < i > 10 1E C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000169E2C37FA0, 16 bytes long.
Data: < i > E8 1D C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000169E2C2FD40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x00000169E2C37410, 16 bytes long.
Data: < i > C0 1D C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000169E2C31DC0, 320 bytes long.
Data: < t i @ i > 10 74 C3 E2 69 01 00 00 40 FD C2 E2 69 01 00 00
{289} normal block at 0x00000169E2C37C80, 16 bytes long.
Data: < i > A0 82 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000169E2C37320, 16 bytes long.
Data: <x i > 78 82 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000169E2C2F680, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x00000169E2C37FF0, 16 bytes long.
Data: <P i > 50 82 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000169E2C2F9E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x00000169E2C375A0, 16 bytes long.
Data: < i > 98 81 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000169E2C37AA0, 16 bytes long.
Data: <p i > 70 81 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000169E2C371E0, 16 bytes long.
Data: <H i > 48 81 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000169E2C37B40, 16 bytes long.
Data: < i > 20 81 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000169E2C37910, 16 bytes long.
Data: < i > F8 80 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000169E2C37640, 16 bytes long.
Data: < i > D0 80 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000169E2C37BE0, 16 bytes long.
Data: < i > 90 08 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000169E2C30890, 40 bytes long.
Data: < { i i > E0 7B C3 E2 69 01 00 00 20 08 C3 E2 69 01 00 00
{275} normal block at 0x00000169E2C37280, 16 bytes long.
Data: < i > B0 80 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000169E2C37DC0, 16 bytes long.
Data: < i > 88 80 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000169E2C30040, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x00000169E2C37230, 16 bytes long.
Data: <` i > 60 80 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000169E2C38060, 992 bytes long.
Data: <0r i @ i > 30 72 C3 E2 69 01 00 00 40 00 C3 E2 69 01 00 00
{107} normal block at 0x00000169E2C30100, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x00000169E2C2DFE0, 16 bytes long.
Data: < i > B0 07 C3 E2 69 01 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x00000169E2C307B0, 40 bytes long.
Data: < i i > E0 DF C2 E2 69 01 00 00 00 01 C3 E2 69 01 00 00
{84} normal block at 0x00000169E2C2E2B0, 16 bytes long.
Data: < Z > 80 EA B8 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000169E2C2D860, 16 bytes long.
Data: <@ Z > 40 E9 B8 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000169E2C2D9A0, 16 bytes long.
Data: < W Z > F8 57 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000169E2C2DF90, 16 bytes long.
Data: < W Z > D8 57 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000169E2C2DD10, 16 bytes long.
Data: <P Z > 50 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000169E2C2E3A0, 16 bytes long.
Data: <0 Z > 30 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000169E2C2D6D0, 16 bytes long.
Data: < Z > E0 02 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000169E2C2DB80, 16 bytes long.
Data: < Z > 10 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000169E2C2E350, 16 bytes long.
Data: <p Z > 70 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000169E2C2DC20, 16 bytes long.
Data: < Z > 18 C0 B3 5A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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