Task 38661657
| Name | test_692-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND3496_1 |
| Workunit | 31604421 |
| Created | 24 Oct 2026, 16:05:40 UTC |
| Sent | 24 Oct 2026, 16:34:00 UTC |
| Report deadline | 29 Oct 2026, 16:34:00 UTC |
| Received | 27 Oct 2026, 6:05:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648742 |
| Run time | 24 min 2 sec |
| CPU time | 21 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,844.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 760.45 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:02:46 (19208): wrapper (7.9.26016): starting
19:02:46 (19208): 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
19:02:48 (19208): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:02:48 (19208): 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\3\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\3\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) : {3835360} normal block at 0x000002D9E2E1CBF0, 8 bytes long.
Data: < D > 00 00 44 E3 D9 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000002D9E4CC4AD0, 1080 bytes long.
Data: <tc > 74 63 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002D9E2E207C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:58:26 (12320): wrapper (7.9.26016): starting
06:58:26 (12320): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
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
07:04:58 (12320): C:/Windows/system32/cmd.exe exited; CPU time 359.484375
07:04:58 (12320): 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: 6893312 bytes.
Dumping objects ->
{1796} normal block at 0x00000223CB5E4CC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1785} normal block at 0x00000223CB5E4B70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1774} normal block at 0x00000223CB5E4940, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1763} normal block at 0x00000223CB5E4F60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1752} normal block at 0x00000223CB5E49B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1721} normal block at 0x00000223CB5CE810, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1710} normal block at 0x00000223CB5CB870, 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) : {1707} normal block at 0x00000223CB5E5EB0, 8 bytes long.
Data: < # > 00 00 9D CB 23 02 00 00
{993} normal block at 0x00000223CB5CD5F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x00000223CB5E5A50, 8 bytes long.
Data: <pj^ # > 70 6A 5E CB 23 02 00 00
{295} normal block at 0x00000223CB5D0E60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000223CB5E5910, 16 bytes long.
Data: <xi^ # > 78 69 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000223CB5E5AF0, 16 bytes long.
Data: <Pi^ # > 50 69 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000223CB5DE4F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000223CB5E5A00, 16 bytes long.
Data: <(i^ # > 28 69 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000223CB5E59B0, 16 bytes long.
Data: < i^ # > 00 69 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000223CB5E5AA0, 16 bytes long.
Data: < h^ # > D8 68 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000223CB5E5C30, 16 bytes long.
Data: < h^ # > B0 68 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000223CB5E4B00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000223CB5E5C80, 16 bytes long.
Data: < \ # > E8 F5 5C CB 23 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000223CB5DEBB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000223CB5E58C0, 16 bytes long.
Data: < \ # > C0 F5 5C CB 23 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000223CB5E5870, 16 bytes long.
Data: < \ # > 98 F5 5C CB 23 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000223CB5E5820, 16 bytes long.
Data: <p \ # > 70 F5 5C CB 23 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000223CB5E5FA0, 16 bytes long.
Data: <H \ # > 48 F5 5C CB 23 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000223CB5E56E0, 16 bytes long.
Data: < \ # > 20 F5 5C CB 23 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000223CB5E5BE0, 16 bytes long.
Data: < \ # > F8 F4 5C CB 23 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000223CB5DEB50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000223CB5E6540, 16 bytes long.
Data: < \ # > D0 F4 5C CB 23 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000223CB5CF4D0, 320 bytes long.
Data: <@e^ # P ] # > 40 65 5E CB 23 02 00 00 50 EB 5D CB 23 02 00 00
{274} normal block at 0x00000223CB5E6040, 16 bytes long.
Data: < h^ # > 90 68 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000223CB5E57D0, 16 bytes long.
Data: <hh^ # > 68 68 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000223CB5DF1B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000223CB5E64F0, 16 bytes long.
Data: <@h^ # > 40 68 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000223CB5DEAF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000223CB5E64A0, 16 bytes long.
Data: < g^ # > 88 67 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000223CB5E6090, 16 bytes long.
Data: <`g^ # > 60 67 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000223CB5E65E0, 16 bytes long.
Data: <8g^ # > 38 67 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000223CB5E5780, 16 bytes long.
Data: < g^ # > 10 67 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000223CB5E62C0, 16 bytes long.
Data: < f^ # > E8 66 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000223CB5E5B90, 16 bytes long.
Data: < f^ # > C0 66 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000223CB5E5D20, 16 bytes long.
Data: < N^ # > F0 4E 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000223CB5E4EF0, 40 bytes long.
Data: < ]^ # \ # > 20 5D 5E CB 23 02 00 00 10 E8 5C CB 23 02 00 00
{260} normal block at 0x00000223CB5E6310, 16 bytes long.
Data: < f^ # > A0 66 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000223CB5E61D0, 16 bytes long.
Data: <xf^ # > 78 66 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000223CB5DE7F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000223CB5E5730, 16 bytes long.
Data: <Pf^ # > 50 66 5E CB 23 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000223CB5E6650, 992 bytes long.
Data: <0W^ # ] # > 30 57 5E CB 23 02 00 00 F0 E7 5D CB 23 02 00 00
{92} normal block at 0x00000223CB5DEEB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000223CB5DD690, 16 bytes long.
Data: <0 ] # > 30 E1 5D CB 23 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000223CB5DE130, 40 bytes long.
Data: < ] # ] # > 90 D6 5D CB 23 02 00 00 B0 EE 5D CB 23 02 00 00
{69} normal block at 0x00000223CB5DD050, 16 bytes long.
Data: < s' > 80 EA 73 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000223CB5DD780, 16 bytes long.
Data: <@ s' > 40 E9 73 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000223CB5DCF10, 16 bytes long.
Data: < Wp' > F8 57 70 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000223CB5DD5F0, 16 bytes long.
Data: < Wp' > D8 57 70 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000223CB5DCBF0, 16 bytes long.
Data: <P p' > 50 04 70 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000223CB5DD500, 16 bytes long.
Data: <0 p' > 30 04 70 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000223CB5DD320, 16 bytes long.
Data: < p' > E0 02 70 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000223CB5DD2D0, 16 bytes long.
Data: < p' > 10 04 70 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000223CB5DD460, 16 bytes long.
Data: <p p' > 70 04 70 27 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000223CB5DD280, 16 bytes long.
Data: < n' > 18 C0 6E 27 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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