Task 38654310
| Name | test_740-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND7625_0 |
| Workunit | 31598141 |
| Created | 24 Oct 2026, 7:05:11 UTC |
| Sent | 24 Oct 2026, 7:05:16 UTC |
| Report deadline | 29 Oct 2026, 7:05:16 UTC |
| Received | 24 Oct 2026, 8:11:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652623 |
| Run time | 24 min 31 sec |
| CPU time | 23 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,130.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.39 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:47:55 (18708): wrapper (7.9.26016): starting
03:47:55 (18708): 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
03:47:56 (18708): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:47:56 (18708): 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.
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
04:11:33 (18708): C:/Windows/system32/cmd.exe exited; CPU time 1406.875000
04:11:33 (18708): 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: 34156785 bytes.
Dumping objects ->
{3835439} normal block at 0x000001CDFDF9EA30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835428} normal block at 0x000001CDFC1A5AE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x000001CDFC1A5A70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835406} normal block at 0x000001CDFC1A5A00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835395} normal block at 0x000001CDFC1A5990, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835364} normal block at 0x000001CDFDF0D690, 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) : {3835351} normal block at 0x000001CDFC1A0370, 8 bytes long.
Data: < eüÍ > 00 00 65 FC CD 01 00 00
{3833967} normal block at 0x000001CDFC19F600, 8 bytes long.
Data: <Pé'üÍ > 50 E9 27 FC CD 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001CDFC1A2280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001CDFC197040, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001CDFC1A5BF0, 16 bytes long.
Data: <Øn üÍ > D8 6E 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001CDFC1A5E70, 16 bytes long.
Data: <°n üÍ > B0 6E 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CDFC19E0B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001CDFC1A68C0, 16 bytes long.
Data: < n üÍ > 88 6E 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CDFC1A6730, 16 bytes long.
Data: <`n üÍ > 60 6E 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CDFC1A6B40, 16 bytes long.
Data: <8n üÍ > 38 6E 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CDFC1A6820, 16 bytes long.
Data: < n üÍ > 10 6E 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CDFC1A5530, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001CDFC1A6690, 16 bytes long.
Data: < ù üÍ > 88 F9 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CDFC19E050, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001CDFC1A5E20, 16 bytes long.
Data: <`ù üÍ > 60 F9 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CDFC1A5CE0, 16 bytes long.
Data: <8ù üÍ > 38 F9 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CDFC1A67D0, 16 bytes long.
Data: < ù üÍ > 10 F9 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CDFC1A6550, 16 bytes long.
Data: <èø üÍ > E8 F8 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CDFC1A6500, 16 bytes long.
Data: <Àø üÍ > C0 F8 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CDFC1A6960, 16 bytes long.
Data: < ø üÍ > 98 F8 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CDFC19DFF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001CDFC1A5DD0, 16 bytes long.
Data: <pø üÍ > 70 F8 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CDFC18F870, 320 bytes long.
Data: <Ð] üÍ ðß üÍ > D0 5D 1A FC CD 01 00 00 F0 DF 19 FC CD 01 00 00
{279} normal block at 0x000001CDFC1A62D0, 16 bytes long.
Data: <ðm üÍ > F0 6D 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CDFC1A6AA0, 16 bytes long.
Data: <Èm üÍ > C8 6D 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CDFC19DC90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001CDFC1A6640, 16 bytes long.
Data: < m üÍ > A0 6D 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CDFC19E230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001CDFC1A6780, 16 bytes long.
Data: <èl üÍ > E8 6C 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CDFC1A6460, 16 bytes long.
Data: <Àl üÍ > C0 6C 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CDFC1A66E0, 16 bytes long.
Data: < l üÍ > 98 6C 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CDFC1A5D30, 16 bytes long.
Data: <pl üÍ > 70 6C 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CDFC1A6370, 16 bytes long.
Data: <Hl üÍ > 48 6C 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CDFC1A6A00, 16 bytes long.
Data: < l üÍ > 20 6C 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CDFC1A64B0, 16 bytes long.
Data: <àS üÍ > E0 53 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CDFC1A53E0, 40 bytes long.
Data: <°d üÍ ÖðýÍ > B0 64 1A FC CD 01 00 00 90 D6 F0 FD CD 01 00 00
{265} normal block at 0x000001CDFC1A5D80, 16 bytes long.
Data: < l üÍ > 00 6C 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CDFC1A5EC0, 16 bytes long.
Data: <Øk üÍ > D8 6B 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CDFC19DDB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001CDFC1A6A50, 16 bytes long.
Data: <°k üÍ > B0 6B 1A FC CD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CDFC1A6BB0, 992 bytes long.
Data: <Pj üÍ °Ý üÍ > 50 6A 1A FC CD 01 00 00 B0 DD 19 FC CD 01 00 00
{97} normal block at 0x000001CDFC19D930, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001CDFC19FFB0, 16 bytes long.
Data: < õ üÍ > 90 F5 18 FC CD 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001CDFC18F590, 40 bytes long.
Data: <°ÿ üÍ 0Ù üÍ > B0 FF 19 FC CD 01 00 00 30 D9 19 FC CD 01 00 00
{74} normal block at 0x000001CDFC19F560, 16 bytes long.
Data: < ê)C÷ > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001CDFC19F790, 16 bytes long.
Data: <@é)C÷ > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CDFC19F9C0, 16 bytes long.
Data: <øW&C÷ > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CDFC19FEC0, 16 bytes long.
Data: <ØW&C÷ > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CDFC19F4C0, 16 bytes long.
Data: <P &C÷ > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CDFC19F830, 16 bytes long.
Data: <0 &C÷ > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CDFC19FF10, 16 bytes long.
Data: <à &C÷ > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CDFC19F7E0, 16 bytes long.
Data: < &C÷ > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CDFC19FA60, 16 bytes long.
Data: <p &C÷ > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CDFC19F5B0, 16 bytes long.
Data: < À$C÷ > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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