Task 38670879
| Name | test_855-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6200_1 |
| Workunit | 31613078 |
| Created | 25 Oct 2026, 18:50:21 UTC |
| Sent | 25 Oct 2026, 18:50:26 UTC |
| Report deadline | 30 Oct 2026, 18:50:26 UTC |
| Received | 25 Oct 2026, 19:42:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628466 |
| Run time | 41 min 31 sec |
| CPU time | 32 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 49,324.59 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.75 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:01:15 (17724): wrapper (7.9.26016): starting
12:01:15 (17724): 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
12:01:18 (17724): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:01:18 (17724): 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\2\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\2\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
12:41:50 (17724): C:/Windows/system32/cmd.exe exited; CPU time 1934.718750
12:41:50 (17724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 30637465 bytes.
Dumping objects ->
{3835559} normal block at 0x0000022FDDCFE0D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x0000022FDC184D50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835537} normal block at 0x0000022FDC184C70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835526} normal block at 0x0000022FDC184C00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835515} normal block at 0x0000022FDC184DC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835484} normal block at 0x0000022FDDD44A00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835473} normal block at 0x0000022FDDD5ECB0, 102 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) : {3835470} normal block at 0x0000022FDC17EF70, 8 bytes long.
Data: < Ü/ > 00 00 10 DC 2F 02 00 00
{3834689} normal block at 0x0000022FDDD5E7E0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000022FDC17EFC0, 8 bytes long.
Data: < 9ÚÝ/ > 80 39 DA DD 2F 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022FDC180A90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022FDC176C90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000022FDC185CF0, 16 bytes long.
Data: <(f Ü/ > 28 66 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022FDC185390, 16 bytes long.
Data: < f Ü/ > 00 66 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022FDC17FE60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000022FDC1861F0, 16 bytes long.
Data: <Øe Ü/ > D8 65 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022FDC185B60, 16 bytes long.
Data: <°e Ü/ > B0 65 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022FDC185C00, 16 bytes long.
Data: < e Ü/ > 88 65 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022FDC186290, 16 bytes long.
Data: <`e Ü/ > 60 65 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022FDC184880, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000022FDC185890, 16 bytes long.
Data: < ï Ü/ > 88 EF 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022FDC17FFE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000022FDC185B10, 16 bytes long.
Data: <`ï Ü/ > 60 EF 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022FDC185A20, 16 bytes long.
Data: <8ï Ü/ > 38 EF 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022FDC1861A0, 16 bytes long.
Data: < ï Ü/ > 10 EF 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022FDC185E30, 16 bytes long.
Data: <èî Ü/ > E8 EE 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022FDC1854D0, 16 bytes long.
Data: <Àî Ü/ > C0 EE 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022FDC186100, 16 bytes long.
Data: < î Ü/ > 98 EE 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022FDC17FDA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000022FDC185840, 16 bytes long.
Data: <pî Ü/ > 70 EE 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022FDC16EE70, 320 bytes long.
Data: <@X Ü/  ý Ü/ > 40 58 18 DC 2F 02 00 00 A0 FD 17 DC 2F 02 00 00
{276} normal block at 0x0000022FDC186150, 16 bytes long.
Data: <@e Ü/ > 40 65 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022FDC185DE0, 16 bytes long.
Data: < e Ü/ > 18 65 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022FDC180700, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000022FDC185D90, 16 bytes long.
Data: <ðd Ü/ > F0 64 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022FDC180640, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000022FDC185ED0, 16 bytes long.
Data: <8d Ü/ > 38 64 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022FDC185AC0, 16 bytes long.
Data: < d Ü/ > 10 64 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022FDC185430, 16 bytes long.
Data: <èc Ü/ > E8 63 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022FDC185D40, 16 bytes long.
Data: <Àc Ü/ > C0 63 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022FDC1860B0, 16 bytes long.
Data: < c Ü/ > 98 63 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022FDC185E80, 16 bytes long.
Data: <pc Ü/ > 70 63 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022FDC185980, 16 bytes long.
Data: < H Ü/ > 10 48 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022FDC184810, 40 bytes long.
Data: < Y Ü/ JÔÝ/ > 80 59 18 DC 2F 02 00 00 00 4A D4 DD 2F 02 00 00
{262} normal block at 0x0000022FDC186010, 16 bytes long.
Data: <Pc Ü/ > 50 63 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022FDC1857F0, 16 bytes long.
Data: <(c Ü/ > 28 63 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022FDC17F800, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000022FDC1857A0, 16 bytes long.
Data: < c Ü/ > 00 63 18 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022FDC186300, 992 bytes long.
Data: < W Ü/ ø Ü/ > A0 57 18 DC 2F 02 00 00 00 F8 17 DC 2F 02 00 00
{94} normal block at 0x0000022FDC180520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000022FDC17F240, 16 bytes long.
Data: <0Ô Ü/ > 30 D4 16 DC 2F 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000022FDC16D430, 40 bytes long.
Data: <@ò Ü/ Ü/ > 40 F2 17 DC 2F 02 00 00 20 05 18 DC 2F 02 00 00
{71} normal block at 0x0000022FDC17F6A0, 16 bytes long.
Data: < ꋉ÷ > 80 EA 8B 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022FDC17F1A0, 16 bytes long.
Data: <@鋉÷ > 40 E9 8B 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022FDC17EC00, 16 bytes long.
Data: <øW ‰÷ > F8 57 88 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022FDC17EA70, 16 bytes long.
Data: <ØW ‰÷ > D8 57 88 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022FDC17F010, 16 bytes long.
Data: <P ‰÷ > 50 04 88 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022FDC17F650, 16 bytes long.
Data: <0 ‰÷ > 30 04 88 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022FDC17E890, 16 bytes long.
Data: <à ‰÷ > E0 02 88 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022FDC17F3D0, 16 bytes long.
Data: < ‰÷ > 10 04 88 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022FDC17EC50, 16 bytes long.
Data: <p ‰÷ > 70 04 88 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022FDC17E840, 16 bytes long.
Data: < À†‰÷ > 18 C0 86 89 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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