Task 38675879
| Name | test_886-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8701_0 |
| Workunit | 31617827 |
| Created | 26 Oct 2026, 9:36:17 UTC |
| Sent | 26 Oct 2026, 9:36:18 UTC |
| Report deadline | 31 Oct 2026, 9:36:18 UTC |
| Received | 26 Oct 2026, 11:44:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635377 |
| Run time | 1 hours 17 min 11 sec |
| CPU time | 1 hours 11 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,492.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.11 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:37:46 (15636): wrapper (7.9.26016): starting
10:37:46 (15636): 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
10:37:48 (15636): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:37:48 (15636): 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\2\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\2\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) : {3835549} normal block at 0x000001C2C656E490, 8 bytes long.
Data: < > 00 00 AE C6 C2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001C2C6576E10, 1080 bytes long.
Data: < V T > 04 56 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C2C6572020, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:59:00 (9808): wrapper (7.9.26016): starting
10:59:00 (9808): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1891} normal block at 0x000001AC08F48250, 8 bytes long.
Data: < > 00 00 ED 08 AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001AC08F48F50, 1080 bytes long.
Data: < 0 L > A4 30 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
12:16:22 (12272): wrapper (7.9.26016): starting
12:16:22 (12272): 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\2\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
12:43:36 (12272): C:/Windows/system32/cmd.exe exited; CPU time 1558.562500
12:43:36 (12272): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 bytes in 8 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: 26043022 bytes.
Dumping objects ->
{1980} normal block at 0x00000274C57173D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1969} normal block at 0x00000274C5717210, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1958} normal block at 0x00000274C57174B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1947} normal block at 0x00000274C5717440, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1936} normal block at 0x00000274C57170C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1905} normal block at 0x00000274C570EF30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1894} normal block at 0x00000274C570B190, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1891} normal block at 0x00000274C57187C0, 8 bytes long.
Data: < j t > 00 00 6A C5 74 02 00 00
{1087} normal block at 0x00000274C570A910, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{309} normal block at 0x00000274C5718040, 8 bytes long.
Data: < q t > A0 8C 71 C5 74 02 00 00
{300} normal block at 0x00000274C5706A60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000274C5717A00, 16 bytes long.
Data: < q t > A8 8B 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000274C5718590, 16 bytes long.
Data: < q t > 80 8B 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000274C570FD70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000274C5717B40, 16 bytes long.
Data: <X q t > 58 8B 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000274C5718540, 16 bytes long.
Data: <0 q t > 30 8B 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000274C57179B0, 16 bytes long.
Data: < q t > 08 8B 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000274C5717FF0, 16 bytes long.
Data: < q t > E0 8A 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000274C5717520, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000274C57184F0, 16 bytes long.
Data: < o t > E8 B9 6F C5 74 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000274C570F890, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000274C5717960, 16 bytes long.
Data: < o t > C0 B9 6F C5 74 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000274C5717BE0, 16 bytes long.
Data: < o t > 98 B9 6F C5 74 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000274C5717C30, 16 bytes long.
Data: <p o t > 70 B9 6F C5 74 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000274C5717F00, 16 bytes long.
Data: <H o t > 48 B9 6F C5 74 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000274C5717910, 16 bytes long.
Data: < o t > 20 B9 6F C5 74 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000274C5718680, 16 bytes long.
Data: < o t > F8 B8 6F C5 74 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000274C570F3B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000274C57178C0, 16 bytes long.
Data: < o t > D0 B8 6F C5 74 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000274C56FB8D0, 320 bytes long.
Data: < xq t p t > C0 78 71 C5 74 02 00 00 B0 F3 70 C5 74 02 00 00
{279} normal block at 0x00000274C5717EB0, 16 bytes long.
Data: < q t > C0 8A 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000274C5717FA0, 16 bytes long.
Data: < q t > 98 8A 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000274C570FAD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000274C5718220, 16 bytes long.
Data: <p q t > 70 8A 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000274C570FA70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000274C57184A0, 16 bytes long.
Data: < q t > B8 89 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000274C5717E60, 16 bytes long.
Data: < q t > 90 89 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000274C5718630, 16 bytes long.
Data: <h q t > 68 89 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000274C5717E10, 16 bytes long.
Data: <@ q t > 40 89 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000274C57186D0, 16 bytes long.
Data: < q t > 18 89 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000274C5718810, 16 bytes long.
Data: < q t > F0 88 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000274C57180E0, 16 bytes long.
Data: <Ppq t > 50 70 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000274C5717050, 40 bytes long.
Data: < q t 0 p t > E0 80 71 C5 74 02 00 00 30 EF 70 C5 74 02 00 00
{265} normal block at 0x00000274C5718770, 16 bytes long.
Data: < q t > D0 88 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000274C5718450, 16 bytes long.
Data: < q t > A8 88 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000274C570F710, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000274C5718090, 16 bytes long.
Data: < q t > 80 88 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000274C5718880, 992 bytes long.
Data: < q t p t > 90 80 71 C5 74 02 00 00 10 F7 70 C5 74 02 00 00
{97} normal block at 0x00000274C570FC50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000274C570D830, 16 bytes long.
Data: < qq t > A0 71 71 C5 74 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000274C57171A0, 40 bytes long.
Data: <0 p t P p t > 30 D8 70 C5 74 02 00 00 50 FC 70 C5 74 02 00 00
{74} normal block at 0x00000274C570E000, 16 bytes long.
Data: < 1 > 80 EA 31 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000274C570E140, 16 bytes long.
Data: <@ 1 > 40 E9 31 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000274C570D380, 16 bytes long.
Data: < W. > F8 57 2E 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000274C570D740, 16 bytes long.
Data: < W. > D8 57 2E 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000274C570D290, 16 bytes long.
Data: <P . > 50 04 2E 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000274C570D420, 16 bytes long.
Data: <0 . > 30 04 2E 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000274C570DC90, 16 bytes long.
Data: < . > E0 02 2E 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000274C570DBF0, 16 bytes long.
Data: < . > 10 04 2E 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000274C570DE20, 16 bytes long.
Data: <p . > 70 04 2E 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000274C570DA60, 16 bytes long.
Data: < , > 18 C0 2C 98 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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