Task 38699203
| Name | test_686-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9541_0 |
| Workunit | 31639630 |
| Created | 3 Nov 2026, 19:40:35 UTC |
| Sent | 3 Nov 2026, 19:40:37 UTC |
| Report deadline | 8 Nov 2026, 19:40:37 UTC |
| Received | 3 Nov 2026, 22:10:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653925 |
| Run time | 28 min 57 sec |
| CPU time | 27 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,688.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 792.59 MB |
| Peak swap size | 9.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:42:15 (39272): wrapper (7.9.26016): starting
11:42:15 (39272): 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
11:42:16 (39272): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:42:16 (39272): 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\24\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\24\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) : {3835429} normal block at 0x00000240DEB1EF40, 8 bytes long.
Data: < @ > 00 00 FE DE 40 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x00000240DEB0EEB0, 1080 bytes long.
Data: <,M D > 2C 4D 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000240DEB26B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:02:00 (16496): wrapper (7.9.26016): starting
14:02:00 (16496): 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\24\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
14:09:43 (16496): C:/Windows/system32/cmd.exe exited; CPU time 393.296875
14:09:43 (16496): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 8296681 bytes.
Dumping objects ->
{1866} normal block at 0x00000136F0BC7160, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1855} normal block at 0x00000136F0BC70F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1844} normal block at 0x00000136F0BC6C90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1833} normal block at 0x00000136F0BC6D70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1822} normal block at 0x00000136F0BC6DE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1791} normal block at 0x00000136F0BBF210, 64 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 0x00000136F0BAC5C0, 102 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) : {1777} normal block at 0x00000136F0BC6940, 8 bytes long.
Data: < 6 > 00 00 1E F1 36 01 00 00
{1028} normal block at 0x00000136F0BAB9B0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{303} normal block at 0x00000136F0BC6800, 8 bytes long.
Data: < s 6 > 00 73 BC F0 36 01 00 00
{294} normal block at 0x00000136F0BB6380, 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 0x00000136F0BC5D60, 16 bytes long.
Data: < Y 6 > E8 59 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000136F0BC5E50, 16 bytes long.
Data: < Y 6 > C0 59 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000136F0BC04B0, 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 0x00000136F0BC64E0, 16 bytes long.
Data: < Y 6 > 98 59 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000136F0BC63A0, 16 bytes long.
Data: <pY 6 > 70 59 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000136F0BC5F90, 16 bytes long.
Data: <HY 6 > 48 59 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000136F0BC6300, 16 bytes long.
Data: < Y 6 > 20 59 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000136F0BC7080, 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 0x00000136F0BC6580, 16 bytes long.
Data: <H 6 > 48 B9 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000136F0BBFD90, 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 0x00000136F0BC68F0, 16 bytes long.
Data: < 6 > 20 B9 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000136F0BC67B0, 16 bytes long.
Data: < 6 > F8 B8 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000136F0BC6710, 16 bytes long.
Data: < 6 > D0 B8 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000136F0BC68A0, 16 bytes long.
Data: < 6 > A8 B8 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000136F0BC5C70, 16 bytes long.
Data: < 6 > 80 B8 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000136F0BC5D10, 16 bytes long.
Data: <X 6 > 58 B8 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000136F0BBFD30, 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 0x00000136F0BC6760, 16 bytes long.
Data: <0 6 > 30 B8 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000136F0BAB830, 320 bytes long.
Data: <`g 6 0 6 > 60 67 BC F0 36 01 00 00 30 FD BB F0 36 01 00 00
{273} normal block at 0x00000136F0BC5FE0, 16 bytes long.
Data: < Y 6 > 00 59 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000136F0BC6850, 16 bytes long.
Data: < X 6 > D8 58 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000136F0BBF9D0, 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 0x00000136F0BC61C0, 16 bytes long.
Data: < X 6 > B0 58 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000136F0BBF790, 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 0x00000136F0BC6A30, 16 bytes long.
Data: < W 6 > F8 57 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000136F0BC62B0, 16 bytes long.
Data: < W 6 > D0 57 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000136F0BC60D0, 16 bytes long.
Data: < W 6 > A8 57 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000136F0BC6350, 16 bytes long.
Data: < W 6 > 80 57 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000136F0BC5EA0, 16 bytes long.
Data: <XW 6 > 58 57 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000136F0BBE2B0, 16 bytes long.
Data: <0W 6 > 30 57 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000136F0BBE170, 16 bytes long.
Data: < 6 > A0 F1 BB F0 36 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000136F0BBF1A0, 40 bytes long.
Data: <p 6 6 > 70 E1 BB F0 36 01 00 00 10 F2 BB F0 36 01 00 00
{259} normal block at 0x00000136F0BBDA40, 16 bytes long.
Data: < W 6 > 10 57 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000136F0BBE080, 16 bytes long.
Data: < V 6 > E8 56 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000136F0BC03F0, 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 0x00000136F0BBD950, 16 bytes long.
Data: < V 6 > C0 56 BC F0 36 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000136F0BC56C0, 992 bytes long.
Data: <P 6 6 > 50 D9 BB F0 36 01 00 00 F0 03 BC F0 36 01 00 00
{91} normal block at 0x00000136F0BC0510, 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 0x00000136F0BBE440, 16 bytes long.
Data: <P 6 > 50 C5 BA F0 36 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000136F0BAC550, 40 bytes long.
Data: <@ 6 6 > 40 E4 BB F0 36 01 00 00 10 05 BC F0 36 01 00 00
{68} normal block at 0x00000136F0BBDF40, 16 bytes long.
Data: < ? > 80 EA CC 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000136F0BBDCC0, 16 bytes long.
Data: <@ ? > 40 E9 CC 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000136F0BBDD60, 16 bytes long.
Data: < W ? > F8 57 C9 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000136F0BBE350, 16 bytes long.
Data: < W ? > D8 57 C9 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000136F0BBE760, 16 bytes long.
Data: <P ? > 50 04 C9 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000136F0BBE5D0, 16 bytes long.
Data: <0 ? > 30 04 C9 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000136F0BBE6C0, 16 bytes long.
Data: < ? > E0 02 C9 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000136F0BBDD10, 16 bytes long.
Data: < ? > 10 04 C9 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000136F0BBE0D0, 16 bytes long.
Data: <p ? > 70 04 C9 3F F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000136F0BBDEA0, 16 bytes long.
Data: < ? > 18 C0 C7 3F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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