Task 38687710
| Name | test_455-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7215_0 |
| Workunit | 31629092 |
| Created | 28 Oct 2026, 9:19:30 UTC |
| Sent | 28 Oct 2026, 9:19:35 UTC |
| Report deadline | 2 Nov 2026, 9:19:35 UTC |
| Received | 28 Oct 2026, 9:44:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652862 |
| Run time | 20 min 59 sec |
| CPU time | 19 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,075.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.45 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:24:21 (4496): wrapper (7.9.26016): starting
10:24:21 (4496): 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
10:24:22 (4496): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:24:22 (4496): 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\8\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\8\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
10:44:36 (4496): C:/Windows/system32/cmd.exe exited; CPU time 1163.406250
10:44:36 (4496): 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: 22816723 bytes.
Dumping objects ->
{3835578} normal block at 0x000001E47BB6AC70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835567} normal block at 0x000001E47BB6B060, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835556} normal block at 0x000001E47BB6B530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835545} normal block at 0x000001E47BB6B4C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835534} normal block at 0x000001E47BB45070, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835503} normal block at 0x000001E47D8A3D80, 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) : {3835490} normal block at 0x000001E47BB3DE60, 8 bytes long.
Data: < |ä > 00 00 17 7C E4 01 00 00
{3833959} normal block at 0x000001E47BB3E130, 8 bytes long.
Data: <°ãz}ä > B0 E3 7A 7D E4 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E47BB41520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E47BB360A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001E47BB45EB0, 16 bytes long.
Data: <Øh´{ä > D8 68 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E47BB46040, 16 bytes long.
Data: <°h´{ä > B0 68 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E47BB3EAD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001E47BB45B40, 16 bytes long.
Data: < h´{ä > 88 68 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E47BB45640, 16 bytes long.
Data: <`h´{ä > 60 68 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E47BB45C80, 16 bytes long.
Data: <8h´{ä > 38 68 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E47BB45730, 16 bytes long.
Data: < h´{ä > 10 68 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E47BB44EB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001E47BB462C0, 16 bytes long.
Data: < è³{ä > 08 E8 B3 7B E4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E47BB3F9D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001E47BB459B0, 16 bytes long.
Data: <àç³{ä > E0 E7 B3 7B E4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E47BB45D70, 16 bytes long.
Data: <¸ç³{ä > B8 E7 B3 7B E4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E47BB461D0, 16 bytes long.
Data: < ç³{ä > 90 E7 B3 7B E4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E47BB46540, 16 bytes long.
Data: <hç³{ä > 68 E7 B3 7B E4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E47BB45DC0, 16 bytes long.
Data: <@ç³{ä > 40 E7 B3 7B E4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E47BB46130, 16 bytes long.
Data: < ç³{ä > 18 E7 B3 7B E4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E47BB3F910, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001E47BB45E10, 16 bytes long.
Data: <ðæ³{ä > F0 E6 B3 7B E4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E47BB3E6F0, 320 bytes long.
Data: < ^´{ä ù³{ä > 10 5E B4 7B E4 01 00 00 10 F9 B3 7B E4 01 00 00
{275} normal block at 0x000001E47BB45D20, 16 bytes long.
Data: <ðg´{ä > F0 67 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E47BB460E0, 16 bytes long.
Data: <Èg´{ä > C8 67 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E47BB3F8B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001E47BB45C30, 16 bytes long.
Data: < g´{ä > A0 67 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E47BB3EB90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001E47BB45AF0, 16 bytes long.
Data: <èf´{ä > E8 66 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E47BB46450, 16 bytes long.
Data: <Àf´{ä > C0 66 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E47BB46270, 16 bytes long.
Data: < f´{ä > 98 66 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E47BB45960, 16 bytes long.
Data: <pf´{ä > 70 66 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E47BB45FF0, 16 bytes long.
Data: <Hf´{ä > 48 66 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E47BB45E60, 16 bytes long.
Data: < f´{ä > 20 66 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E47BB45870, 16 bytes long.
Data: <ÀJ´{ä > C0 4A B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E47BB44AC0, 40 bytes long.
Data: <pX´{ä =Š}ä > 70 58 B4 7B E4 01 00 00 80 3D 8A 7D E4 01 00 00
{261} normal block at 0x000001E47BB45CD0, 16 bytes long.
Data: < f´{ä > 00 66 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E47BB45FA0, 16 bytes long.
Data: <Øe´{ä > D8 65 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E47BB3F610, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001E47BB463B0, 16 bytes long.
Data: <°e´{ä > B0 65 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E47BB465B0, 992 bytes long.
Data: <°c´{ä ö³{ä > B0 63 B4 7B E4 01 00 00 10 F6 B3 7B E4 01 00 00
{93} normal block at 0x000001E47BB3F850, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001E47BB3DA00, 16 bytes long.
Data: <àP´{ä > E0 50 B4 7B E4 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001E47BB450E0, 40 bytes long.
Data: < Ú³{ä Pø³{ä > 00 DA B3 7B E4 01 00 00 50 F8 B3 7B E4 01 00 00
{70} normal block at 0x000001E47BB3D9B0, 16 bytes long.
Data: < ê! ÷ > 80 EA 21 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E47BB3D6E0, 16 bytes long.
Data: <@é! ÷ > 40 E9 21 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E47BB3DD20, 16 bytes long.
Data: <øW ÷ > F8 57 1E 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E47BB3DC80, 16 bytes long.
Data: <ØW ÷ > D8 57 1E 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E47BB3D640, 16 bytes long.
Data: <P ÷ > 50 04 1E 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E47BB3DF50, 16 bytes long.
Data: <0 ÷ > 30 04 1E 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E47BB3E180, 16 bytes long.
Data: <à ÷ > E0 02 1E 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E47BB3DFF0, 16 bytes long.
Data: < ÷ > 10 04 1E 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E47BB3DB90, 16 bytes long.
Data: <p ÷ > 70 04 1E 13 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E47BB3D550, 16 bytes long.
Data: < À ÷ > 18 C0 1C 13 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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