Task 38698726
| Name | test_661-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9669_0 |
| Workunit | 31639220 |
| Created | 3 Nov 2026, 0:17:08 UTC |
| Sent | 3 Nov 2026, 0:17:12 UTC |
| Report deadline | 8 Nov 2026, 0:17:12 UTC |
| Received | 3 Nov 2026, 2:28:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645277 |
| Run time | 1 hours 13 min 12 sec |
| CPU time | 1 hours 10 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,072.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.57 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:19:16 (11664): wrapper (7.9.26016): starting
18:19:16 (11664): 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
18:19:17 (11664): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:19:17 (11664): 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\12\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\12\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) : {3835351} normal block at 0x000001F939AC09E0, 8 bytes long.
Data: < 9 > 00 00 A9 39 F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001F939AADE60, 1080 bytes long.
Data: <H/ H > 48 2F 00 00 CD CD CD CD 48 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001F939AC1800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:32:27 (15776): wrapper (7.9.26016): starting
19:32:27 (15776): 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\12\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
20:28:01 (15776): C:/Windows/system32/cmd.exe exited; CPU time 3257.937500
20:28:01 (15776): 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: 47960657 bytes.
Dumping objects ->
{1781} normal block at 0x00000224E8D92120, 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 0x00000224E8D920B0, 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 0x00000224E8D91DA0, 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 0x00000224E8D91F60, 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 0x00000224E8D91D30, 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 0x00000224E8D8A340, 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 0x00000224E8D95D90, 8 bytes long.
Data: < # $ > 00 00 23 E9 24 02 00 00
{309} normal block at 0x00000224E8D96880, 8 bytes long.
Data: <Pm $ > 50 6D D9 E8 24 02 00 00
{300} normal block at 0x00000224E8D87E90, 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 0x00000224E8D966A0, 16 bytes long.
Data: <H\ $ > 48 5C D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000224E8D96290, 16 bytes long.
Data: < \ $ > 20 5C D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000224E8D8E630, 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 0x00000224E8D96100, 16 bytes long.
Data: < [ $ > F8 5B D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000224E8D961A0, 16 bytes long.
Data: < [ $ > D0 5B D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000224E8D95ED0, 16 bytes long.
Data: < [ $ > A8 5B D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000224E8D962E0, 16 bytes long.
Data: < [ $ > 80 5B D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000224E8D91B00, 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 0x00000224E8D965B0, 16 bytes long.
Data: <( $ > 28 ED D7 E8 24 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000224E8D8EF30, 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 0x00000224E8D96560, 16 bytes long.
Data: < $ > 00 ED D7 E8 24 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000224E8D96A60, 16 bytes long.
Data: < $ > D8 EC D7 E8 24 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000224E8D96CE0, 16 bytes long.
Data: < $ > B0 EC D7 E8 24 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000224E8D95F20, 16 bytes long.
Data: < $ > 88 EC D7 E8 24 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000224E8D96C40, 16 bytes long.
Data: <` $ > 60 EC D7 E8 24 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000224E8D96BA0, 16 bytes long.
Data: <8 $ > 38 EC D7 E8 24 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000224E8D8EF90, 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 0x00000224E8D96010, 16 bytes long.
Data: < $ > 10 EC D7 E8 24 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000224E8D7EC10, 320 bytes long.
Data: < ` $ $ > 10 60 D9 E8 24 02 00 00 90 EF D8 E8 24 02 00 00
{279} normal block at 0x00000224E8D96BF0, 16 bytes long.
Data: <`[ $ > 60 5B D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000224E8D96240, 16 bytes long.
Data: <8[ $ > 38 5B D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000224E8D8EE70, 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 0x00000224E8D95F70, 16 bytes long.
Data: < [ $ > 10 5B D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000224E8D8EC90, 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 0x00000224E8D96B50, 16 bytes long.
Data: <XZ $ > 58 5A D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000224E8D96650, 16 bytes long.
Data: <0Z $ > 30 5A D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000224E8D95FC0, 16 bytes long.
Data: < Z $ > 08 5A D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000224E8D96C90, 16 bytes long.
Data: < Y $ > E0 59 D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000224E8D96600, 16 bytes long.
Data: < Y $ > B8 59 D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000224E8D90E90, 16 bytes long.
Data: < Y $ > 90 59 D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000224E8D90C10, 16 bytes long.
Data: < $ > 90 1A D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000224E8D91A90, 40 bytes long.
Data: < $ @ $ > 10 0C D9 E8 24 02 00 00 40 A3 D8 E8 24 02 00 00
{265} normal block at 0x00000224E8D91890, 16 bytes long.
Data: <pY $ > 70 59 D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000224E8D91980, 16 bytes long.
Data: <HY $ > 48 59 D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000224E8D8E6F0, 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 0x00000224E8D90D50, 16 bytes long.
Data: < Y $ > 20 59 D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000224E8D95920, 992 bytes long.
Data: <P $ $ > 50 0D D9 E8 24 02 00 00 F0 E6 D8 E8 24 02 00 00
{97} normal block at 0x00000224E8D8F050, 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 0x00000224E8D91570, 16 bytes long.
Data: <@ $ > 40 20 D9 E8 24 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000224E8D92040, 40 bytes long.
Data: <p $ P $ > 70 15 D9 E8 24 02 00 00 50 F0 D8 E8 24 02 00 00
{74} normal block at 0x00000224E8D91700, 16 bytes long.
Data: < TL > 80 EA 54 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000224E8D91520, 16 bytes long.
Data: <@ TL > 40 E9 54 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000224E8D916B0, 16 bytes long.
Data: < WQL > F8 57 51 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000224E8D918E0, 16 bytes long.
Data: < WQL > D8 57 51 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000224E8D91610, 16 bytes long.
Data: <P QL > 50 04 51 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000224E8D91750, 16 bytes long.
Data: <0 QL > 30 04 51 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000224E8D911B0, 16 bytes long.
Data: < QL > E0 02 51 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000224E8D917A0, 16 bytes long.
Data: < QL > 10 04 51 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000224E8D90CB0, 16 bytes long.
Data: <p QL > 70 04 51 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000224E8D915C0, 16 bytes long.
Data: < OL > 18 C0 4F 4C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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