Task 38661668
| Name | test_1360-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5236_0 |
| Workunit | 31605061 |
| Created | 24 Oct 2026, 16:06:25 UTC |
| Sent | 24 Oct 2026, 16:13:53 UTC |
| Report deadline | 29 Oct 2026, 16:13:53 UTC |
| Received | 24 Oct 2026, 22:21:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652623 |
| Run time | 21 min 54 sec |
| CPU time | 20 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,130.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.46 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:39:03 (35276): wrapper (7.9.26016): starting
12:39:03 (35276): 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
12:39:04 (35276): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:39:04 (35276): 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\16\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\16\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.
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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835351} normal block at 0x0000014AF10F0070, 8 bytes long.
Data: < J > 00 00 0A F1 4A 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000014AF2E04550, 1080 bytes long.
Data: < J | > 94 4A 00 00 CD CD CD CD 7C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000014AF10F2A70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:05:55 (36416): wrapper (7.9.26016): starting
13:05:55 (36416): 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\16\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
13:07:13 (36416): C:/Windows/system32/cmd.exe exited; CPU time 59.437500
13:07:13 (36416): 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: 1737631 bytes.
Dumping objects ->
{1781} normal block at 0x000001839B257A50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1770} normal block at 0x000001839B257890, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1759} normal block at 0x000001839B257660, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1748} normal block at 0x000001839B257B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1737} normal block at 0x000001839B257AC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1706} normal block at 0x000001839B23BC20, 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) : {1693} normal block at 0x000001839B258B80, 8 bytes long.
Data: < > 00 00 20 9B 83 01 00 00
{309} normal block at 0x000001839B258860, 8 bytes long.
Data: <@ % > 40 92 25 9B 83 01 00 00
{300} normal block at 0x000001839B247C20, 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 0x000001839B258C70, 16 bytes long.
Data: <H % > 48 91 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001839B258810, 16 bytes long.
Data: < % > 20 91 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001839B24E7B0, 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 0x000001839B258A90, 16 bytes long.
Data: < % > F8 90 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001839B258720, 16 bytes long.
Data: < % > D0 90 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001839B2580E0, 16 bytes long.
Data: < % > A8 90 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001839B258D60, 16 bytes long.
Data: < % > 80 90 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001839B257820, 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 0x000001839B2589F0, 16 bytes long.
Data: <( % > 28 05 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001839B24EC90, 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 0x000001839B257F00, 16 bytes long.
Data: < % > 00 05 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001839B258950, 16 bytes long.
Data: < % > D8 04 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001839B258D10, 16 bytes long.
Data: < % > B0 04 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001839B258C20, 16 bytes long.
Data: < % > 88 04 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001839B258A40, 16 bytes long.
Data: <` % > 60 04 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001839B2586D0, 16 bytes long.
Data: <8 % > 38 04 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001839B24F470, 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 0x000001839B258540, 16 bytes long.
Data: < % > 10 04 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001839B250410, 320 bytes long.
Data: <@ % p $ > 40 85 25 9B 83 01 00 00 70 F4 24 9B 83 01 00 00
{279} normal block at 0x000001839B258770, 16 bytes long.
Data: <` % > 60 90 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001839B258900, 16 bytes long.
Data: <8 % > 38 90 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001839B24ED50, 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 0x000001839B2589A0, 16 bytes long.
Data: < % > 10 90 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001839B24E870, 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 0x000001839B258040, 16 bytes long.
Data: <X % > 58 8F 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001839B257FA0, 16 bytes long.
Data: <0 % > 30 8F 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001839B258BD0, 16 bytes long.
Data: < % > 08 8F 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001839B2588B0, 16 bytes long.
Data: < % > E0 8E 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001839B258220, 16 bytes long.
Data: < % > B8 8E 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001839B2584F0, 16 bytes long.
Data: < % > 90 8E 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001839B258310, 16 bytes long.
Data: < {% > A0 7B 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001839B257BA0, 40 bytes long.
Data: < % # > 10 83 25 9B 83 01 00 00 20 BC 23 9B 83 01 00 00
{265} normal block at 0x000001839B258AE0, 16 bytes long.
Data: <p % > 70 8E 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001839B258B30, 16 bytes long.
Data: <H % > 48 8E 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001839B24EB70, 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 0x000001839B2587C0, 16 bytes long.
Data: < % > 20 8E 25 9B 83 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001839B258E20, 992 bytes long.
Data: < % p $ > C0 87 25 9B 83 01 00 00 70 EB 24 9B 83 01 00 00
{97} normal block at 0x000001839B24E810, 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 0x000001839B250C30, 16 bytes long.
Data: < # > B0 CD 23 9B 83 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001839B23CDB0, 40 bytes long.
Data: <0 % $ > 30 0C 25 9B 83 01 00 00 10 E8 24 9B 83 01 00 00
{74} normal block at 0x000001839B250AF0, 16 bytes long.
Data: < )C > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001839B250BE0, 16 bytes long.
Data: <@ )C > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001839B250B40, 16 bytes long.
Data: < W&C > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001839B251770, 16 bytes long.
Data: < W&C > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001839B251450, 16 bytes long.
Data: <P &C > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001839B250DC0, 16 bytes long.
Data: <0 &C > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001839B251090, 16 bytes long.
Data: < &C > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001839B250C80, 16 bytes long.
Data: < &C > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001839B250EB0, 16 bytes long.
Data: <p &C > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001839B251900, 16 bytes long.
Data: < $C > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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