Task 38672040
| Name | test_827-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND2394_0 |
| Workunit | 31614214 |
| Created | 25 Oct 2026, 22:16:48 UTC |
| Sent | 25 Oct 2026, 22:16:53 UTC |
| Report deadline | 30 Oct 2026, 22:16:53 UTC |
| Received | 26 Oct 2026, 13:39:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641615 |
| Run time | 1 hours 36 min 51 sec |
| CPU time | 1 hours 26 min 34 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 | 728.96 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.76 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:23:49 (41848): wrapper (7.9.26016): starting
07:23:49 (41848): 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
07:23:54 (41848): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:23:54 (41848): 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\2\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\2\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.
21:25:31 (27768): wrapper (7.9.26016): starting
21:25:31 (27768): 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\2\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
22:38:20 (27768): C:/Windows/system32/cmd.exe exited; CPU time 4243.359375
22:38:20 (27768): 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: 93056324 bytes.
Dumping objects ->
{1579} normal block at 0x0000022BDC364290, 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 0x0000022BDC3648B0, 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 0x0000022BDC364300, 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 0x0000022BDC364760, 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 0x0000022BDC364450, 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 0x0000022BDC360540, 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 0x0000022BDC368100, 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 0x0000022BDC366DC0, 8 bytes long.
Data: < v + > 00 00 76 DC 2B 02 00 00
{892} normal block at 0x0000022BDC365CA0, 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 0x0000022BDC366B40, 8 bytes long.
Data: <Pr6 + > 50 72 36 DC 2B 02 00 00
{301} normal block at 0x0000022BDC357BA0, 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 0x0000022BDC366820, 16 bytes long.
Data: <Xq6 + > 58 71 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000022BDC3667D0, 16 bytes long.
Data: <0q6 + > 30 71 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000022BDC3616F0, 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 0x0000022BDC365FB0, 16 bytes long.
Data: < q6 + > 08 71 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022BDC366190, 16 bytes long.
Data: < p6 + > E0 70 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022BDC366280, 16 bytes long.
Data: < p6 + > B8 70 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022BDC366140, 16 bytes long.
Data: < p6 + > 90 70 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022BDC364220, 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 0x0000022BDC3660F0, 16 bytes long.
Data: < 6 + > D8 04 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022BDC361690, 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 0x0000022BDC365EC0, 16 bytes long.
Data: < 6 + > B0 04 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022BDC3660A0, 16 bytes long.
Data: < 6 + > 88 04 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022BDC366A00, 16 bytes long.
Data: <` 6 + > 60 04 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022BDC366C30, 16 bytes long.
Data: <8 6 + > 38 04 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022BDC3665A0, 16 bytes long.
Data: < 6 + > 10 04 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022BDC366050, 16 bytes long.
Data: < 6 + > E8 03 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022BDC3611B0, 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 0x0000022BDC366BE0, 16 bytes long.
Data: < 6 + > C0 03 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022BDC3603C0, 320 bytes long.
Data: < k6 + 6 + > E0 6B 36 DC 2B 02 00 00 B0 11 36 DC 2B 02 00 00
{280} normal block at 0x0000022BDC3669B0, 16 bytes long.
Data: <pp6 + > 70 70 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022BDC366AF0, 16 bytes long.
Data: <Hp6 + > 48 70 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022BDC361630, 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 0x0000022BDC365E70, 16 bytes long.
Data: < p6 + > 20 70 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022BDC360CD0, 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 0x0000022BDC366000, 16 bytes long.
Data: <ho6 + > 68 6F 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022BDC366D20, 16 bytes long.
Data: <@o6 + > 40 6F 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022BDC3668C0, 16 bytes long.
Data: < o6 + > 18 6F 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022BDC366910, 16 bytes long.
Data: < n6 + > F0 6E 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022BDC366550, 16 bytes long.
Data: < n6 + > C8 6E 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022BDC366780, 16 bytes long.
Data: < n6 + > A0 6E 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022BDC366CD0, 16 bytes long.
Data: <@H6 + > 40 48 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022BDC364840, 40 bytes long.
Data: < l6 + @ 6 + > D0 6C 36 DC 2B 02 00 00 40 05 36 DC 2B 02 00 00
{266} normal block at 0x0000022BDC366960, 16 bytes long.
Data: < n6 + > 80 6E 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022BDC366230, 16 bytes long.
Data: <Xn6 + > 58 6E 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022BDC361030, 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 0x0000022BDC366D70, 16 bytes long.
Data: <0n6 + > 30 6E 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022BDC366E30, 992 bytes long.
Data: <pm6 + 0 6 + > 70 6D 36 DC 2B 02 00 00 30 10 36 DC 2B 02 00 00
{98} normal block at 0x0000022BDC361450, 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 0x0000022BDC35F1D0, 16 bytes long.
Data: < I6 + > 20 49 36 DC 2B 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000022BDC364920, 40 bytes long.
Data: < 5 + P 6 + > D0 F1 35 DC 2B 02 00 00 50 14 36 DC 2B 02 00 00
{73} normal block at 0x0000022BDC35E960, 16 bytes long.
Data: < g > 80 EA E0 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022BDC35F540, 16 bytes long.
Data: <@ g > 40 E9 E0 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022BDC35F630, 16 bytes long.
Data: < W g > F8 57 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022BDC35ED70, 16 bytes long.
Data: < W g > D8 57 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022BDC35EC80, 16 bytes long.
Data: <P g > 50 04 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022BDC35EFF0, 16 bytes long.
Data: <0 g > 30 04 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022BDC35F180, 16 bytes long.
Data: < g > E0 02 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022BDC35EB90, 16 bytes long.
Data: < g > 10 04 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022BDC35F130, 16 bytes long.
Data: <p g > 70 04 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022BDC35F090, 16 bytes long.
Data: < g > 18 C0 DB 67 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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