Task 38689752
| Name | test_263-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3083_0 |
| Workunit | 31630983 |
| Created | 28 Oct 2026, 23:20:50 UTC |
| Sent | 28 Oct 2026, 23:20:52 UTC |
| Report deadline | 2 Nov 2026, 23:20:52 UTC |
| Received | 29 Oct 2026, 0:02:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618343 |
| Run time | 15 min 35 sec |
| CPU time | 15 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.61 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:21:46 (11440): wrapper (7.9.26016): starting
16:21:46 (11440): 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
16:21:48 (11440): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:21:48 (11440): 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\25\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\25\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) : {3835148} normal block at 0x000001F1944E69D0, 8 bytes long.
Data: < > 00 00 A4 94 F1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001F1963E8430, 1080 bytes long.
Data: < \ > 1C BD 00 00 CD CD CD CD 5C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F1944CAC10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:35:23 (39368): wrapper (7.9.26016): starting
16:35:23 (39368): 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\25\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
16:57:29 (39368): C:/Windows/system32/cmd.exe exited; CPU time 513.859375
16:57:29 (39368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 31801551 bytes.
Dumping objects ->
{1582} normal block at 0x000002889B2B2840, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x000002889B2B2220, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000002889B2B2140, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1549} normal block at 0x000002889B2B1CE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1538} normal block at 0x000002889B26A9F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1507} normal block at 0x000002889B26D170, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1496} normal block at 0x000002889B262720, 140 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) : {1493} normal block at 0x000002889B26C120, 8 bytes long.
Data: < r > 00 00 72 9B 88 02 00 00
{891} normal block at 0x000002889B261BC0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x000002889B26C0D0, 8 bytes long.
Data: < + > 20 09 2B 9B 88 02 00 00
{297} normal block at 0x000002889B24BA20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002889B26BF90, 16 bytes long.
Data: < & > 18 D5 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002889B26CC10, 16 bytes long.
Data: < & > F0 D4 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002889B2AFC60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002889B26CB20, 16 bytes long.
Data: < & > C8 D4 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002889B26CBC0, 16 bytes long.
Data: < & > A0 D4 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002889B26C260, 16 bytes long.
Data: <x & > 78 D4 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002889B26C080, 16 bytes long.
Data: <P & > 50 D4 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002889B26AA60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002889B26BF40, 16 bytes long.
Data: <( & > 28 CF 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002889B2B04A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002889B26C1C0, 16 bytes long.
Data: < & > 00 CF 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002889B26C580, 16 bytes long.
Data: < & > D8 CE 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002889B26CAD0, 16 bytes long.
Data: < & > B0 CE 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002889B26C850, 16 bytes long.
Data: < & > 88 CE 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002889B26C2B0, 16 bytes long.
Data: <` & > 60 CE 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002889B26C6C0, 16 bytes long.
Data: <8 & > 38 CE 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002889B2B0080, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002889B26CA30, 16 bytes long.
Data: < & > 10 CE 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002889B26CE10, 320 bytes long.
Data: <0 & + > 30 CA 26 9B 88 02 00 00 80 00 2B 9B 88 02 00 00
{276} normal block at 0x000002889B26C170, 16 bytes long.
Data: <0 & > 30 D4 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002889B26C990, 16 bytes long.
Data: < & > 08 D4 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002889B2AFD80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002889B26C490, 16 bytes long.
Data: < & > E0 D3 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002889B2AFEA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002889B26C030, 16 bytes long.
Data: <( & > 28 D3 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002889B26C300, 16 bytes long.
Data: < & > 00 D3 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002889B26CC60, 16 bytes long.
Data: < & > D8 D2 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002889B26CB70, 16 bytes long.
Data: < & > B0 D2 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002889B26C350, 16 bytes long.
Data: < & > 88 D2 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002889B26BE50, 16 bytes long.
Data: <` & > 60 D2 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002889B26C210, 16 bytes long.
Data: < & > 90 AC 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002889B26AC90, 40 bytes long.
Data: < & p & > 10 C2 26 9B 88 02 00 00 70 D1 26 9B 88 02 00 00
{262} normal block at 0x000002889B26C8A0, 16 bytes long.
Data: <@ & > 40 D2 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002889B26C800, 16 bytes long.
Data: < & > 18 D2 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002889B2B03E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002889B26CA80, 16 bytes long.
Data: < & > F0 D1 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002889B26D1F0, 992 bytes long.
Data: < & + > 80 CA 26 9B 88 02 00 00 E0 03 2B 9B 88 02 00 00
{94} normal block at 0x000002889B252ED0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002889B269890, 16 bytes long.
Data: < & > 20 AC 26 9B 88 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002889B26AC20, 40 bytes long.
Data: < & .% > 90 98 26 9B 88 02 00 00 D0 2E 25 9B 88 02 00 00
{71} normal block at 0x000002889B269610, 16 bytes long.
Data: < > 80 EA D1 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002889B2697A0, 16 bytes long.
Data: <@ > 40 E9 D1 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002889B269430, 16 bytes long.
Data: < W > F8 57 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002889B269340, 16 bytes long.
Data: < W > D8 57 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002889B2693E0, 16 bytes long.
Data: <P > 50 04 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002889B2691B0, 16 bytes long.
Data: <0 > 30 04 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002889B269160, 16 bytes long.
Data: < > E0 02 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002889B2690C0, 16 bytes long.
Data: < > 10 04 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002889B269840, 16 bytes long.
Data: <p > 70 04 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002889B269C00, 16 bytes long.
Data: < > 18 C0 CC B3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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