Task 38652127
| Name | test_814-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND7879_1 |
| Workunit | 31596276 |
| Created | 24 Oct 2026, 3:17:02 UTC |
| Sent | 24 Oct 2026, 3:21:35 UTC |
| Report deadline | 29 Oct 2026, 3:21:35 UTC |
| Received | 24 Oct 2026, 4:01:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641545 |
| Run time | 26 min 26 sec |
| CPU time | 26 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,562.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.78 MB |
| Peak swap size | 5.54 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:25:19 (43716): wrapper (7.9.26016): starting
04:25:19 (43716): 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
04:25:20 (43716): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:25:20 (43716): 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 'E:\bonic2\slots\6\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 'E:\bonic2\slots\6\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.
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
04:53:19 (43716): C:/Windows/system32/cmd.exe exited; CPU time 1563.875000
04:53:19 (43716): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 36873039 bytes.
Dumping objects ->
{3835412} normal block at 0x0000021CDA878AD0, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{3835401} normal block at 0x0000021CDC58F390, 32 bytes long.
Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{3835390} normal block at 0x0000021CDC58FD50, 32 bytes long.
Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C
{3835379} normal block at 0x0000021CDC58FF90, 32 bytes long.
Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{3835368} normal block at 0x0000021CDC58FF30, 32 bytes long.
Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32
{3835337} normal block at 0x0000021CDA878360, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
..\api\boinc_api.cpp(309) : {3835324} normal block at 0x0000021CDA84B6F0, 8 bytes long.
Data: < ãÚ > 00 00 E3 DA 1C 02 00 00
{3833987} normal block at 0x0000021CDA84BAB0, 8 bytes long.
Data: <ÐêEÜ > D0 EA 45 DC 1C 02 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000021CDA850B80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x0000021CDA847FD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x0000021CDA854B90, 16 bytes long.
Data: <H`…Ú > 48 60 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000021CDA855360, 16 bytes long.
Data: < `…Ú > 20 60 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000021CDA84DCD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x0000021CDA854BE0, 16 bytes long.
Data: <ø_…Ú > F8 5F 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000021CDA854A00, 16 bytes long.
Data: <Ð_…Ú > D0 5F 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000021CDA854D70, 16 bytes long.
Data: <¨_…Ú > A8 5F 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000021CDA8552C0, 16 bytes long.
Data: < _…Ú > 80 5F 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000021CDA84E620, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x0000021CDA855040, 16 bytes long.
Data: <h£„Ú > 68 A3 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000021CDA84DAF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x0000021CDA854A50, 16 bytes long.
Data: <@£„Ú > 40 A3 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021CDA855680, 16 bytes long.
Data: < £„Ú > 18 A3 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021CDA854B40, 16 bytes long.
Data: <ð¢„Ú > F0 A2 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021CDA855450, 16 bytes long.
Data: <È¢„Ú > C8 A2 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021CDA854960, 16 bytes long.
Data: < ¢„Ú > A0 A2 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021CDA855220, 16 bytes long.
Data: <x¢„Ú > 78 A2 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021CDA84E210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x0000021CDA8551D0, 16 bytes long.
Data: <P¢„Ú > 50 A2 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021CDA84A250, 320 bytes long.
Data: <ÐQ…Ú â„Ú > D0 51 85 DA 1C 02 00 00 10 E2 84 DA 1C 02 00 00
{289} normal block at 0x0000021CDA855270, 16 bytes long.
Data: <`_…Ú > 60 5F 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021CDA854FF0, 16 bytes long.
Data: <8_…Ú > 38 5F 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021CDA84DC70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x0000021CDA854F50, 16 bytes long.
Data: < _…Ú > 10 5F 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021CDA84DC10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x0000021CDA8549B0, 16 bytes long.
Data: <X^…Ú > 58 5E 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021CDA855810, 16 bytes long.
Data: <0^…Ú > 30 5E 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021CDA854CD0, 16 bytes long.
Data: < ^…Ú > 08 5E 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021CDA855400, 16 bytes long.
Data: <à]…Ú > E0 5D 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021CDA854DC0, 16 bytes long.
Data: <¸]…Ú > B8 5D 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021CDA854C80, 16 bytes long.
Data: < ]…Ú > 90 5D 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021CDA8550E0, 16 bytes long.
Data: < í„Ú > 20 ED 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021CDA84ED20, 40 bytes long.
Data: <àP…Ú `ƒ‡Ú > E0 50 85 DA 1C 02 00 00 60 83 87 DA 1C 02 00 00
{275} normal block at 0x0000021CDA854D20, 16 bytes long.
Data: <p]…Ú > 70 5D 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021CDA855180, 16 bytes long.
Data: <H]…Ú > 48 5D 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CDA84DA30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x0000021CDA8558B0, 16 bytes long.
Data: < ]…Ú > 20 5D 85 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021CDA855D20, 992 bytes long.
Data: <°X…Ú 0Ú„Ú > B0 58 85 DA 1C 02 00 00 30 DA 84 DA 1C 02 00 00
{107} normal block at 0x0000021CDA84D9D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x0000021CDA84B830, 16 bytes long.
Data: <°ì„Ú > B0 EC 84 DA 1C 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x0000021CDA84ECB0, 40 bytes long.
Data: <0¸„Ú ÐÙ„Ú > 30 B8 84 DA 1C 02 00 00 D0 D9 84 DA 1C 02 00 00
{84} normal block at 0x0000021CDA84B7E0, 16 bytes long.
Data: < ê=^÷ > 80 EA 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000021CDA84C0A0, 16 bytes long.
Data: <@é=^÷ > 40 E9 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000021CDA84B650, 16 bytes long.
Data: <øW:^÷ > F8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000021CDA84BE20, 16 bytes long.
Data: <ØW:^÷ > D8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000021CDA84C2D0, 16 bytes long.
Data: <P :^÷ > 50 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000021CDA84BD80, 16 bytes long.
Data: <0 :^÷ > 30 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000021CDA84BF60, 16 bytes long.
Data: <à :^÷ > E0 02 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000021CDA84BCE0, 16 bytes long.
Data: < :^÷ > 10 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000021CDA84BC90, 16 bytes long.
Data: <p :^÷ > 70 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000021CDA84BBF0, 16 bytes long.
Data: < À8^÷ > 18 C0 38 5E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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