Task 38663927
| Name | test_467-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND1319_0 |
| Workunit | 31607114 |
| Created | 24 Oct 2026, 22:56:49 UTC |
| Sent | 24 Oct 2026, 22:56:57 UTC |
| Report deadline | 29 Oct 2026, 22:56:57 UTC |
| Received | 25 Oct 2026, 3:55:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 35 min 40 sec |
| CPU time | 32 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.38 MB |
| Peak swap size | 2.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:52:55 (2868): wrapper (7.9.26016): starting
18:52:55 (2868): 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
18:52:57 (2868): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:52:57 (2868): 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.
19:41:06 (20364): wrapper (7.9.26016): starting
19:41:06 (20364): 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) : {1505} normal block at 0x00000228550D5490, 8 bytes long.
Data: < MU( > 00 00 4D 55 28 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x00000228550D68A0, 1080 bytes long.
Data: <dM D > 64 4D 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
20:41:03 (16628): wrapper (7.9.26016): starting
20:41:05 (16628): 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
20:55:28 (16628): C:/Windows/system32/cmd.exe exited; CPU time 734.546875
20:55:28 (16628): 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: 13110432 bytes.
Dumping objects ->
{1593} normal block at 0x000002557F576FC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000002557F5772D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x000002557F576EE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1560} normal block at 0x000002557F577030, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x000002557F577110, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1518} normal block at 0x000002557F5685D0, 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) : {1505} normal block at 0x000002557F576050, 8 bytes long.
Data: < U > 00 00 A5 7F 55 02 00 00
{303} normal block at 0x000002557F576640, 8 bytes long.
Data: < TW U > D0 54 57 7F 55 02 00 00
{294} normal block at 0x000002557F565C00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000002557F575B50, 16 bytes long.
Data: < mW U > 98 6D 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002557F5767D0, 16 bytes long.
Data: <pmW U > 70 6D 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002557F56FF20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000002557F5769B0, 16 bytes long.
Data: <HmW U > 48 6D 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002557F575E20, 16 bytes long.
Data: < mW U > 20 6D 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002557F576550, 16 bytes long.
Data: < lW U > F8 6C 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002557F5763C0, 16 bytes long.
Data: < lW U > D0 6C 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002557F577490, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000002557F576870, 16 bytes long.
Data: < V U > 08 84 56 7F 55 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002557F570220, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000002557F576230, 16 bytes long.
Data: < V U > E0 83 56 7F 55 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002557F5765F0, 16 bytes long.
Data: < V U > B8 83 56 7F 55 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002557F575DD0, 16 bytes long.
Data: < V U > 90 83 56 7F 55 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002557F576500, 16 bytes long.
Data: <h V U > 68 83 56 7F 55 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002557F5761E0, 16 bytes long.
Data: <@ V U > 40 83 56 7F 55 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002557F576190, 16 bytes long.
Data: < V U > 18 83 56 7F 55 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002557F570160, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000002557F576000, 16 bytes long.
Data: < V U > F0 82 56 7F 55 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002557F5682F0, 320 bytes long.
Data: < `W U ` W U > 00 60 57 7F 55 02 00 00 60 01 57 7F 55 02 00 00
{273} normal block at 0x000002557F575B00, 16 bytes long.
Data: < lW U > B0 6C 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002557F576320, 16 bytes long.
Data: < lW U > 88 6C 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002557F56F920, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000002557F5764B0, 16 bytes long.
Data: <`lW U > 60 6C 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002557F56F8C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000002557F575CE0, 16 bytes long.
Data: < kW U > A8 6B 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002557F575C90, 16 bytes long.
Data: < kW U > 80 6B 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002557F5766E0, 16 bytes long.
Data: <XkW U > 58 6B 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002557F576690, 16 bytes long.
Data: <0kW U > 30 6B 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002557F575D80, 16 bytes long.
Data: < kW U > 08 6B 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002557F576460, 16 bytes long.
Data: < jW U > E0 6A 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002557F5762D0, 16 bytes long.
Data: < U U > A0 E9 55 7F 55 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002557F55E9A0, 40 bytes long.
Data: < bW U V U > D0 62 57 7F 55 02 00 00 D0 85 56 7F 55 02 00 00
{259} normal block at 0x000002557F576140, 16 bytes long.
Data: < jW U > C0 6A 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002557F5765A0, 16 bytes long.
Data: < jW U > 98 6A 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002557F56F9E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000002557F576960, 16 bytes long.
Data: <pjW U > 70 6A 57 7F 55 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002557F576A70, 992 bytes long.
Data: <`iW U V U > 60 69 57 7F 55 02 00 00 E0 F9 56 7F 55 02 00 00
{91} normal block at 0x000002557F56F860, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002557F56EBF0, 16 bytes long.
Data: <` U U > 60 C5 55 7F 55 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002557F55C560, 40 bytes long.
Data: < V U ` V U > F0 EB 56 7F 55 02 00 00 60 F8 56 7F 55 02 00 00
{68} normal block at 0x000002557F56EBA0, 16 bytes long.
Data: < r > 80 EA 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002557F56F3C0, 16 bytes long.
Data: <@ r > 40 E9 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002557F56F370, 16 bytes long.
Data: < W r > F8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002557F56EF10, 16 bytes long.
Data: < W r > D8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002557F56EE20, 16 bytes long.
Data: <P r > 50 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002557F56F140, 16 bytes long.
Data: <0 r > 30 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002557F56E920, 16 bytes long.
Data: < r > E0 02 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002557F56E5B0, 16 bytes long.
Data: < r > 10 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002557F56ED30, 16 bytes long.
Data: <p r > 70 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002557F56ECE0, 16 bytes long.
Data: < r > 18 C0 8E 72 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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