Task 38645793
| Name | test_419-GPUGRID_TEST_ATM_500_20261023-0-1-RND8133_0 |
| Workunit | 31590756 |
| Created | 23 Oct 2026, 16:14:17 UTC |
| Sent | 23 Oct 2026, 16:26:31 UTC |
| Report deadline | 28 Oct 2026, 16:26:31 UTC |
| Received | 23 Oct 2026, 17:57:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 620057 |
| Run time | 45 min 47 sec |
| CPU time | 40 min 28 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.73 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:45:30 (9720): wrapper (7.9.26016): starting
19:45:30 (9720): 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
19:45:32 (9720): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:45:32 (9720): 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) : {3835093} normal block at 0x0000023853A0AB10, 8 bytes long.
Data: < AU8 > 00 00 41 55 38 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x00000238539FBFC0, 1080 bytes long.
Data: < A t > D8 41 00 00 CD CD CD CD 74 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000238539FEF30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:25:58 (10456): wrapper (7.9.26016): starting
20:25:58 (10456): 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\0\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
20:56:37 (10456): C:/Windows/system32/cmd.exe exited; CPU time 1672.515625
20:56:37 (10456): 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: 27421928 bytes.
Dumping objects ->
{1534} normal block at 0x00000257789E4590, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1523} normal block at 0x00000257789E41A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1512} normal block at 0x00000257789E4130, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1501} normal block at 0x00000257789E47C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1490} normal block at 0x00000257789E44B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1459} normal block at 0x00000257789D0120, 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) : {1446} normal block at 0x00000257789E4B20, 8 bytes long.
Data: < FzW > 00 00 46 7A 57 02 00 00
{298} normal block at 0x00000257789E4C60, 8 bytes long.
Data: < ] xW > 20 5D 9E 78 57 02 00 00
{289} normal block at 0x00000257789DEC20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000257789E4FD0, 16 bytes long.
Data: <(\ xW > 28 5C 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000257789E53E0, 16 bytes long.
Data: < \ xW > 00 5C 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000257789DED20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000257789E4E90, 16 bytes long.
Data: < [ xW > D8 5B 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000257789E4D50, 16 bytes long.
Data: < [ xW > B0 5B 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000257789E50C0, 16 bytes long.
Data: < [ xW > 88 5B 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000257789E4EE0, 16 bytes long.
Data: <`[ xW > 60 5B 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000257789E4210, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000257789E4DF0, 16 bytes long.
Data: <h xW > 68 F0 9C 78 57 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000257789DEEA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000257789E5390, 16 bytes long.
Data: <@ xW > 40 F0 9C 78 57 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000257789E51B0, 16 bytes long.
Data: < xW > 18 F0 9C 78 57 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000257789E5660, 16 bytes long.
Data: < xW > F0 EF 9C 78 57 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000257789E52A0, 16 bytes long.
Data: < xW > C8 EF 9C 78 57 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000257789E5110, 16 bytes long.
Data: < xW > A0 EF 9C 78 57 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000257789E5070, 16 bytes long.
Data: <x xW > 78 EF 9C 78 57 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000257789DFBC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000257789E4F80, 16 bytes long.
Data: <P xW > 50 EF 9C 78 57 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000257789CEF50, 320 bytes long.
Data: < O xW xW > 80 4F 9E 78 57 02 00 00 C0 FB 9D 78 57 02 00 00
{268} normal block at 0x00000257789E54D0, 16 bytes long.
Data: <@[ xW > 40 5B 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000257789E4A30, 16 bytes long.
Data: < [ xW > 18 5B 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000257789DF6E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000257789E5340, 16 bytes long.
Data: < Z xW > F0 5A 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000257789DFA40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000257789E4BC0, 16 bytes long.
Data: <8Z xW > 38 5A 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000257789E5250, 16 bytes long.
Data: < Z xW > 10 5A 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000257789E5430, 16 bytes long.
Data: < Y xW > E8 59 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000257789E4990, 16 bytes long.
Data: < Y xW > C0 59 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000257789E4C10, 16 bytes long.
Data: < Y xW > 98 59 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000257789E57F0, 16 bytes long.
Data: <pY xW > 70 59 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000257789E4940, 16 bytes long.
Data: <@D xW > 40 44 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000257789E4440, 40 bytes long.
Data: <@I xW xW > 40 49 9E 78 57 02 00 00 20 01 9D 78 57 02 00 00
{254} normal block at 0x00000257789E5890, 16 bytes long.
Data: <PY xW > 50 59 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000257789E55C0, 16 bytes long.
Data: <(Y xW > 28 59 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000257789DF5C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000257789E4DA0, 16 bytes long.
Data: < Y xW > 00 59 9E 78 57 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000257789E5900, 992 bytes long.
Data: < M xW xW > A0 4D 9E 78 57 02 00 00 C0 F5 9D 78 57 02 00 00
{86} normal block at 0x00000257789DF620, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000257789DBEE0, 16 bytes long.
Data: < xW > 20 EB 9D 78 57 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000257789DEB20, 40 bytes long.
Data: < xW xW > E0 BE 9D 78 57 02 00 00 20 F6 9D 78 57 02 00 00
{63} normal block at 0x00000257789DC9D0, 16 bytes long.
Data: < > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000257789DC930, 16 bytes long.
Data: <@ > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000257789DBE90, 16 bytes long.
Data: < W > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000257789DC390, 16 bytes long.
Data: < W > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000257789DBDA0, 16 bytes long.
Data: <P > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000257789DC020, 16 bytes long.
Data: <0 > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000257789DBE40, 16 bytes long.
Data: < > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000257789DBF80, 16 bytes long.
Data: < > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000257789DCA20, 16 bytes long.
Data: <p > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000257789DC2F0, 16 bytes long.
Data: < > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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