Task 38697779
| Name | test_515-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2744_0 |
| Workunit | 31638331 |
| Created | 1 Nov 2026, 21:18:41 UTC |
| Sent | 1 Nov 2026, 21:18:45 UTC |
| Report deadline | 6 Nov 2026, 21:18:45 UTC |
| Received | 1 Nov 2026, 21:51:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 621706 |
| Run time | 32 min 35 sec |
| CPU time | 27 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,721.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.53 MB |
| Peak swap size | 9.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:20:21 (41600): wrapper (7.9.26016): starting
16:20:21 (41600): 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
16:20:22 (41600): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:20:22 (41600): 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\0\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\0\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
16:51:25 (41600): C:/Windows/system32/cmd.exe exited; CPU time 1644.625000
16:51:25 (41600): 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: 40492367 bytes.
Dumping objects ->
{3835387} normal block at 0x000002BAE4CE75F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835376} normal block at 0x000002BAE4CE7F20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x000002BAE4CE7EB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835354} normal block at 0x000002BAE4CE81C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835343} normal block at 0x000002BAE4CE7660, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835312} normal block at 0x000002BAE4CF3A40, 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) : {3835299} normal block at 0x000002BAE2E7F5D0, 8 bytes long.
Data: < >㺠> 00 00 3E E3 BA 02 00 00
{3833961} normal block at 0x000002BAE2E7FB70, 8 bytes long.
Data: < D슼 > 80 44 CF E4 BA 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002BAE2E813A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002BAE2E76700, 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 0x000002BAE2E86220, 16 bytes long.
Data: <øYè⺠> F8 59 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002BAE2E85E60, 16 bytes long.
Data: <ÐYè⺠> D0 59 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002BAE2E7E040, 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 0x000002BAE2E85CD0, 16 bytes long.
Data: <¨Yè⺠> A8 59 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002BAE2E85FF0, 16 bytes long.
Data: < Yè⺠> 80 59 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002BAE2E867C0, 16 bytes long.
Data: <XYè⺠> 58 59 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BAE2E85BE0, 16 bytes long.
Data: <0Yè⺠> 30 59 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002BAE2E83B40, 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 0x000002BAE2E86450, 16 bytes long.
Data: <8õæ⺠> 38 F5 E6 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BAE2E7E220, 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 0x000002BAE2E86630, 16 bytes long.
Data: < õæ⺠> 10 F5 E6 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BAE2E85D70, 16 bytes long.
Data: <èôæ⺠> E8 F4 E6 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BAE2E85FA0, 16 bytes long.
Data: <Àôæ⺠> C0 F4 E6 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BAE2E85C80, 16 bytes long.
Data: < ôæ⺠> 98 F4 E6 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BAE2E85B90, 16 bytes long.
Data: <pôæ⺠> 70 F4 E6 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BAE2E86360, 16 bytes long.
Data: <Hôæ⺠> 48 F4 E6 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BAE2E7E1C0, 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 0x000002BAE2E86900, 16 bytes long.
Data: < ôæ⺠> 20 F4 E6 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BAE2E6F420, 320 bytes long.
Data: < iè⺠Àáç⺠> 00 69 E8 E2 BA 02 00 00 C0 E1 E7 E2 BA 02 00 00
{276} normal block at 0x000002BAE2E86680, 16 bytes long.
Data: < Yè⺠> 10 59 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BAE2E869A0, 16 bytes long.
Data: <èXè⺠> E8 58 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BAE2E7DCE0, 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 0x000002BAE2E85F00, 16 bytes long.
Data: <ÀXè⺠> C0 58 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BAE2E7DAA0, 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 0x000002BAE2E86770, 16 bytes long.
Data: < Xè⺠> 08 58 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BAE2E86590, 16 bytes long.
Data: <àWè⺠> E0 57 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002BAE2E85E10, 16 bytes long.
Data: <¸Wè⺠> B8 57 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BAE2E86090, 16 bytes long.
Data: < Wè⺠> 90 57 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BAE2E85D20, 16 bytes long.
Data: <hWè⺠> 68 57 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BAE2E7F760, 16 bytes long.
Data: <@Wè⺠> 40 57 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BAE2E7EF90, 16 bytes long.
Data: <p=è⺠> 70 3D E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BAE2E83D70, 40 bytes long.
Data: < ïç⺠@:Ïäº > 90 EF E7 E2 BA 02 00 00 40 3A CF E4 BA 02 00 00
{262} normal block at 0x000002BAE2E7EE50, 16 bytes long.
Data: < Wè⺠> 20 57 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BAE2E7EE00, 16 bytes long.
Data: <øVè⺠> F8 56 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BAE2E7DFE0, 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 0x000002BAE2E7EDB0, 16 bytes long.
Data: <ÐVè⺠> D0 56 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002BAE2E856D0, 992 bytes long.
Data: <°íç⺠àßç⺠> B0 ED E7 E2 BA 02 00 00 E0 DF E7 E2 BA 02 00 00
{94} normal block at 0x000002BAE2E7D500, 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 0x000002BAE2E7FA30, 16 bytes long.
Data: < 8è⺠> A0 38 E8 E2 BA 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002BAE2E838A0, 40 bytes long.
Data: <0úç⺠Õç⺠> 30 FA E7 E2 BA 02 00 00 00 D5 E7 E2 BA 02 00 00
{71} normal block at 0x000002BAE2E7ED10, 16 bytes long.
Data: < ê´Èö > 80 EA B4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002BAE2E7FB20, 16 bytes long.
Data: <@é´Èö > 40 E9 B4 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002BAE2E7EEF0, 16 bytes long.
Data: <øW±Èö > F8 57 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BAE2E7F670, 16 bytes long.
Data: <ØW±Èö > D8 57 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BAE2E7F940, 16 bytes long.
Data: <P ±Èö > 50 04 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BAE2E7F210, 16 bytes long.
Data: <0 ±Èö > 30 04 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BAE2E7F3F0, 16 bytes long.
Data: <à ±Èö > E0 02 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002BAE2E7F1C0, 16 bytes long.
Data: < ±Èö > 10 04 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BAE2E7FC60, 16 bytes long.
Data: <p ±Èö > 70 04 B1 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BAE2E7EEA0, 16 bytes long.
Data: < À¯Èö > 18 C0 AF C8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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