Task 38682804
| Name | test_737-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND1099_0 |
| Workunit | 31624398 |
| Created | 27 Oct 2026, 9:12:03 UTC |
| Sent | 27 Oct 2026, 9:12:05 UTC |
| Report deadline | 1 Nov 2026, 9:12:05 UTC |
| Received | 27 Oct 2026, 10:14:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626568 |
| Run time | 22 min 51 sec |
| CPU time | 22 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 746.13 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:52:23 (16300): wrapper (7.9.26016): starting
10:52:23 (16300): 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
10:52:24 (16300): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:52:24 (16300): 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\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 'C:\ProgramData\BOINC\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
11:14:34 (16300): C:/Windows/system32/cmd.exe exited; CPU time 1339.109375
11:14:34 (16300): 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: 22399455 bytes.
Dumping objects ->
{3835329} normal block at 0x0000017FC9CA7970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835318} normal block at 0x0000017FC9CA82A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x0000017FC9CA7CF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835296} normal block at 0x0000017FC9CA7C10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835285} normal block at 0x0000017FC9CA74A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835254} normal block at 0x0000017FC9CB3A70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835243} normal block at 0x0000017FC9B6E100, 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) : {3835240} normal block at 0x0000017FC7E0D530, 8 bytes long.
Data: < ÝÇ > 00 00 DD C7 7F 01 00 00
{3834594} normal block at 0x0000017FC9B6E370, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x0000017FC7E0DA30, 8 bytes long.
Data: <0CËÉ > 30 43 CB C9 7F 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000017FC7E112E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000017FC7E06980, 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 0x0000017FC7E15C00, 16 bytes long.
Data: <XháÇ > 58 68 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000017FC7E16380, 16 bytes long.
Data: <0háÇ > 30 68 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000017FC7E0ED50, 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 0x0000017FC7E16150, 16 bytes long.
Data: < háÇ > 08 68 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017FC7E16330, 16 bytes long.
Data: <àgáÇ > E0 67 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017FC7E159D0, 16 bytes long.
Data: <¸gáÇ > B8 67 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000017FC7E15750, 16 bytes long.
Data: < gáÇ > 90 67 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017FC7E13AA0, 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 0x0000017FC7E16470, 16 bytes long.
Data: < ¶ßÇ > 88 B6 DF C7 7F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000017FC7E0F110, 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 0x0000017FC7E15BB0, 16 bytes long.
Data: <`¶ßÇ > 60 B6 DF C7 7F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017FC7E15610, 16 bytes long.
Data: <8¶ßÇ > 38 B6 DF C7 7F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017FC7E15D90, 16 bytes long.
Data: < ¶ßÇ > 10 B6 DF C7 7F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017FC7E15B60, 16 bytes long.
Data: <èµßÇ > E8 B5 DF C7 7F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017FC7E15570, 16 bytes long.
Data: <ÀµßÇ > C0 B5 DF C7 7F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017FC7E16100, 16 bytes long.
Data: < µßÇ > 98 B5 DF C7 7F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017FC7E0F650, 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 0x0000017FC7E15A70, 16 bytes long.
Data: <pµßÇ > 70 B5 DF C7 7F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017FC7DFB570, 320 bytes long.
Data: <pZáÇ PöàÇ > 70 5A E1 C7 7F 01 00 00 50 F6 E0 C7 7F 01 00 00
{279} normal block at 0x0000017FC7E16010, 16 bytes long.
Data: <pgáÇ > 70 67 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017FC7E15D40, 16 bytes long.
Data: <HgáÇ > 48 67 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017FC7E0F4D0, 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 0x0000017FC7E15700, 16 bytes long.
Data: < gáÇ > 20 67 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017FC7E0FA10, 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 0x0000017FC7E15980, 16 bytes long.
Data: <hfáÇ > 68 66 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017FC7E15930, 16 bytes long.
Data: <@fáÇ > 40 66 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017FC7E156B0, 16 bytes long.
Data: < fáÇ > 18 66 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017FC7E15B10, 16 bytes long.
Data: <ðeáÇ > F0 65 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017FC7E15C50, 16 bytes long.
Data: <ÈeáÇ > C8 65 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017FC7E162E0, 16 bytes long.
Data: < eáÇ > A0 65 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017FC7E15890, 16 bytes long.
Data: <@6áÇ > 40 36 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017FC7E13640, 40 bytes long.
Data: < XáÇ p:ËÉ > 90 58 E1 C7 7F 01 00 00 70 3A CB C9 7F 01 00 00
{265} normal block at 0x0000017FC7E15840, 16 bytes long.
Data: < eáÇ > 80 65 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017FC7E16290, 16 bytes long.
Data: <XeáÇ > 58 65 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017FC7E0F470, 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 0x0000017FC7E160B0, 16 bytes long.
Data: <0eáÇ > 30 65 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017FC7E16530, 992 bytes long.
Data: <°`áÇ pôàÇ > B0 60 E1 C7 7F 01 00 00 70 F4 E0 C7 7F 01 00 00
{97} normal block at 0x0000017FC7E0ECF0, 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 0x0000017FC7E0D7B0, 16 bytes long.
Data: <p8áÇ > 70 38 E1 C7 7F 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000017FC7E13870, 40 bytes long.
Data: <°×àÇ ðìàÇ > B0 D7 E0 C7 7F 01 00 00 F0 EC E0 C7 7F 01 00 00
{74} normal block at 0x0000017FC7E0DFD0, 16 bytes long.
Data: < êÄ~÷ > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000017FC7E0D3F0, 16 bytes long.
Data: <@éÄ~÷ > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000017FC7E0DF30, 16 bytes long.
Data: <øWÁ~÷ > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000017FC7E0E020, 16 bytes long.
Data: <ØWÁ~÷ > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017FC7E0D2B0, 16 bytes long.
Data: <P Á~÷ > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017FC7E0D350, 16 bytes long.
Data: <0 Á~÷ > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017FC7E0D4E0, 16 bytes long.
Data: <à Á~÷ > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017FC7E0D8A0, 16 bytes long.
Data: < Á~÷ > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017FC7E0DD50, 16 bytes long.
Data: <p Á~÷ > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017FC7E0D800, 16 bytes long.
Data: < À¿~÷ > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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