Task 38667687
| Name | test_356-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND7656_0 |
| Workunit | 31610287 |
| Created | 25 Oct 2026, 8:59:10 UTC |
| Sent | 25 Oct 2026, 8:59:14 UTC |
| Report deadline | 30 Oct 2026, 8:59:14 UTC |
| Received | 25 Oct 2026, 10:54:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641615 |
| Run time | 1 hours 39 min 59 sec |
| CPU time | 1 hours 34 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,805.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.24 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:03:42 (26984): wrapper (7.9.26016): starting
18:03:42 (26984): 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
18:03:44 (26984): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:03:44 (26984): 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\0\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\0\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) : {3835253} normal block at 0x0000017BB2A7F570, 8 bytes long.
Data: < { > 00 00 A2 B2 7B 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x0000017BB4C34B80, 1080 bytes long.
Data: <$ | > 24 B4 00 00 CD CD CD CD 7C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017BB2A76D30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:32:31 (6652): wrapper (7.9.26016): starting
18:32:31 (6652): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
19:53:14 (6652): C:/Windows/system32/cmd.exe exited; CPU time 4688.156250
19:53:14 (6652): 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: 107678606 bytes.
Dumping objects ->
{1579} normal block at 0x0000023C68AA46C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1568} normal block at 0x0000023C68AA4880, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1557} normal block at 0x0000023C68AA4650, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1546} normal block at 0x0000023C68AA45E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x0000023C68AA4570, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1504} normal block at 0x0000023C68AA0500, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1493} normal block at 0x0000023C68AA80D0, 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) : {1490} normal block at 0x0000023C68AA6430, 8 bytes long.
Data: < h< > 00 00 A5 68 3C 02 00 00
{892} normal block at 0x0000023C68AA5C70, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x0000023C68AA6020, 8 bytes long.
Data: < r h< > 20 72 AA 68 3C 02 00 00
{301} normal block at 0x0000023C68A97700, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000023C68AA5F80, 16 bytes long.
Data: <(q h< > 28 71 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000023C68AA62F0, 16 bytes long.
Data: < q h< > 00 71 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023C68AA1480, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000023C68AA5F30, 16 bytes long.
Data: < p h< > D8 70 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023C68AA6660, 16 bytes long.
Data: < p h< > B0 70 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023C68AA5EE0, 16 bytes long.
Data: < p h< > 88 70 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023C68AA5FD0, 16 bytes long.
Data: <`p h< > 60 70 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023C68AA4500, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000023C68AA62A0, 16 bytes long.
Data: < h< > 18 F7 A8 68 3C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023C68AA0CA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000023C68AA5E40, 16 bytes long.
Data: < h< > F0 F6 A8 68 3C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023C68AA67A0, 16 bytes long.
Data: < h< > C8 F6 A8 68 3C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023C68AA5E90, 16 bytes long.
Data: < h< > A0 F6 A8 68 3C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023C68AA63E0, 16 bytes long.
Data: <x h< > 78 F6 A8 68 3C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023C68AA6160, 16 bytes long.
Data: <P h< > 50 F6 A8 68 3C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023C68AA6390, 16 bytes long.
Data: <( h< > 28 F6 A8 68 3C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023C68AA10C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000023C68AA6250, 16 bytes long.
Data: < h< > 00 F6 A8 68 3C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023C68A8F600, 320 bytes long.
Data: <Pb h< h< > 50 62 AA 68 3C 02 00 00 C0 10 AA 68 3C 02 00 00
{280} normal block at 0x0000023C68AA64D0, 16 bytes long.
Data: <@p h< > 40 70 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023C68AA6340, 16 bytes long.
Data: < p h< > 18 70 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023C68AA0EE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000023C68AA6A70, 16 bytes long.
Data: < o h< > F0 6F AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023C68AA1540, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000023C68AA6D90, 16 bytes long.
Data: <8o h< > 38 6F AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023C68AA6B60, 16 bytes long.
Data: < o h< > 10 6F AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023C68AA6D40, 16 bytes long.
Data: < n h< > E8 6E AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023C68AA6110, 16 bytes long.
Data: < n h< > C0 6E AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023C68AA6CA0, 16 bytes long.
Data: < n h< > 98 6E AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023C68AA6C50, 16 bytes long.
Data: <pn h< > 70 6E AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023C68AA6A20, 16 bytes long.
Data: < D h< > 90 44 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023C68AA4490, 40 bytes long.
Data: < j h< h< > 20 6A AA 68 3C 02 00 00 00 05 AA 68 3C 02 00 00
{266} normal block at 0x0000023C68AA6840, 16 bytes long.
Data: <Pn h< > 50 6E AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023C68AA6CF0, 16 bytes long.
Data: <(n h< > 28 6E AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023C68AA11E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000023C68AA6480, 16 bytes long.
Data: < n h< > 00 6E AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023C68AA6E00, 992 bytes long.
Data: < d h< h< > 80 64 AA 68 3C 02 00 00 E0 11 AA 68 3C 02 00 00
{98} normal block at 0x0000023C68AA1060, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000023C68A9F610, 16 bytes long.
Data: < H h< > F0 48 AA 68 3C 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000023C68AA48F0, 40 bytes long.
Data: < h< ` h< > 10 F6 A9 68 3C 02 00 00 60 10 AA 68 3C 02 00 00
{73} normal block at 0x0000023C68A9ECB0, 16 bytes long.
Data: < w > 80 EA 77 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023C68A9F070, 16 bytes long.
Data: <@ w > 40 E9 77 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023C68A9F430, 16 bytes long.
Data: < Wt > F8 57 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023C68A9F570, 16 bytes long.
Data: < Wt > D8 57 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023C68A9F390, 16 bytes long.
Data: <P t > 50 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023C68A9EA80, 16 bytes long.
Data: <0 t > 30 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023C68A9E9E0, 16 bytes long.
Data: < t > E0 02 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023C68A9F020, 16 bytes long.
Data: < t > 10 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023C68A9E8F0, 16 bytes long.
Data: <p t > 70 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023C68A9EA30, 16 bytes long.
Data: < r > 18 C0 72 C1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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