Task 38667061
| Name | test_661-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND9669_0 |
| Workunit | 31609750 |
| Created | 25 Oct 2026, 6:08:52 UTC |
| Sent | 25 Oct 2026, 6:09:06 UTC |
| Report deadline | 30 Oct 2026, 6:09:06 UTC |
| Received | 28 Oct 2026, 10:32:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618393 |
| Run time | 46 min 33 sec |
| CPU time | 38 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,214.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.16 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:11:21 (14412): wrapper (7.9.26016): starting
15:11:21 (14412): 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
15:11:24 (14412): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:11:24 (14412): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835321} normal block at 0x0000027AD3D2E080, 8 bytes long.
Data: < # z > 00 00 23 D4 7A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x0000027AD5F04330, 1080 bytes long.
Data: < ! @ > A8 21 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000027AD3D31D70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:42:55 (22108): wrapper (7.9.26016): starting
19:42:55 (22108): 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\16\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1558} normal block at 0x0000026D6F4466A0, 8 bytes long.
Data: < om > 00 00 94 6F 6D 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000026D6F4474E0, 1080 bytes long.
Data: <T6 H > 54 36 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:15:53 (6316): wrapper (7.9.26016): starting
19:15:53 (6316): 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\16\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1558} normal block at 0x000001C4D5107D10, 8 bytes long.
Data: < i > 00 00 69 D5 C4 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001C4D51089C0, 1080 bytes long.
Data: < N H > C8 4E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:24:07 (13652): wrapper (7.9.26016): starting
19:24:07 (13652): 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\16\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
19:31:05 (13652): C:/Windows/system32/cmd.exe exited; CPU time 392.875000
19:31:05 (13652): 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: 8692017 bytes.
Dumping objects ->
{1647} normal block at 0x00000185ADA35BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1636} normal block at 0x00000185ADA35760, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1625} normal block at 0x00000185ADA358B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1614} normal block at 0x00000185ADA35B50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x00000185ADA35C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1572} normal block at 0x00000185ADA298F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1561} normal block at 0x00000185ADA1BC30, 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) : {1558} normal block at 0x00000185ADA36D20, 8 bytes long.
Data: < > 00 00 FC AD 85 01 00 00
{928} normal block at 0x00000185ADA2F970, 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 0x00000185ADA36320, 8 bytes long.
Data: < u > 20 75 A3 AD 85 01 00 00
{301} normal block at 0x00000185ADA26800, 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 0x00000185ADA36F50, 16 bytes long.
Data: <(t > 28 74 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000185ADA36B40, 16 bytes long.
Data: < t > 00 74 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000185ADA2FE00, 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 0x00000185ADA36190, 16 bytes long.
Data: < s > D8 73 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000185ADA36960, 16 bytes long.
Data: < s > B0 73 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000185ADA365A0, 16 bytes long.
Data: < s > 88 73 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000185ADA36370, 16 bytes long.
Data: <`s > 60 73 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000185ADA35AE0, 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 0x00000185ADA36EB0, 16 bytes long.
Data: < > C8 BB A1 AD 85 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000185ADA30100, 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 0x00000185ADA36FF0, 16 bytes long.
Data: < > A0 BB A1 AD 85 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000185ADA36E60, 16 bytes long.
Data: <x > 78 BB A1 AD 85 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000185ADA36D70, 16 bytes long.
Data: <P > 50 BB A1 AD 85 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000185ADA36140, 16 bytes long.
Data: <( > 28 BB A1 AD 85 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000185ADA36CD0, 16 bytes long.
Data: < > 00 BB A1 AD 85 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000185ADA36AA0, 16 bytes long.
Data: < > D8 BA A1 AD 85 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000185ADA30280, 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 0x00000185ADA36E10, 16 bytes long.
Data: < > B0 BA A1 AD 85 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000185ADA1BAB0, 320 bytes long.
Data: < n > 10 6E A3 AD 85 01 00 00 80 02 A3 AD 85 01 00 00
{280} normal block at 0x00000185ADA36460, 16 bytes long.
Data: <@s > 40 73 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000185ADA366E0, 16 bytes long.
Data: < s > 18 73 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000185ADA2FB00, 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 0x00000185ADA36F00, 16 bytes long.
Data: < r > F0 72 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000185ADA305E0, 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 0x00000185ADA361E0, 16 bytes long.
Data: <8r > 38 72 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000185ADA36AF0, 16 bytes long.
Data: < r > 10 72 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000185ADA36910, 16 bytes long.
Data: < q > E8 71 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000185ADA36550, 16 bytes long.
Data: < q > C0 71 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000185ADA36C30, 16 bytes long.
Data: < q > 98 71 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000185ADA36410, 16 bytes long.
Data: <pq > 70 71 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000185ADA36820, 16 bytes long.
Data: < U > A0 55 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000185ADA355A0, 40 bytes long.
Data: < h > 20 68 A3 AD 85 01 00 00 F0 98 A2 AD 85 01 00 00
{266} normal block at 0x00000185ADA36B90, 16 bytes long.
Data: <Pq > 50 71 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000185ADA368C0, 16 bytes long.
Data: <(q > 28 71 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000185ADA301C0, 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 0x00000185ADA362D0, 16 bytes long.
Data: < q > 00 71 A3 AD 85 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000185ADA37100, 992 bytes long.
Data: < b > D0 62 A3 AD 85 01 00 00 C0 01 A3 AD 85 01 00 00
{98} normal block at 0x00000185ADA2FF20, 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 0x00000185ADA2E6E0, 16 bytes long.
Data: < > 80 98 A2 AD 85 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000185ADA29880, 40 bytes long.
Data: < > E0 E6 A2 AD 85 01 00 00 20 FF A2 AD 85 01 00 00
{73} normal block at 0x00000185ADA2DFB0, 16 bytes long.
Data: < { > 80 EA 7B D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000185ADA2E5F0, 16 bytes long.
Data: <@ { > 40 E9 7B D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000185ADA2E5A0, 16 bytes long.
Data: < Wx > F8 57 78 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000185ADA2E190, 16 bytes long.
Data: < Wx > D8 57 78 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000185ADA2E640, 16 bytes long.
Data: <P x > 50 04 78 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000185ADA2DEC0, 16 bytes long.
Data: <0 x > 30 04 78 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000185ADA2E460, 16 bytes long.
Data: < x > E0 02 78 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000185ADA2E870, 16 bytes long.
Data: < x > 10 04 78 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000185ADA2E3C0, 16 bytes long.
Data: <p x > 70 04 78 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000185ADA2DF60, 16 bytes long.
Data: < v > 18 C0 76 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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