Task 38683513
| Name | test_805-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1243_0 |
| Workunit | 31625067 |
| Created | 27 Oct 2026, 12:05:37 UTC |
| Sent | 27 Oct 2026, 12:05:40 UTC |
| Report deadline | 1 Nov 2026, 12:05:40 UTC |
| Received | 27 Oct 2026, 14:07:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 514949 |
| Run time | 43 min 35 sec |
| CPU time | 40 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,343.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 670.97 MB |
| Peak swap size | 5.30 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:24:09 (16596): wrapper (7.9.26016): starting
08:24:09 (16596): 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
08:24:10 (16596): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:24:10 (16596): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
09:07:01 (16596): C:/Windows/system32/cmd.exe exited; CPU time 2413.500000
09:07:01 (16596): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 41026865 bytes.
Dumping objects ->
{3835319} normal block at 0x00000253C0566260, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835308} normal block at 0x00000253C05661F0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835297} normal block at 0x00000253C05667A0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835286} normal block at 0x00000253BE81D6B0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x00000253BE81DD40, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835244} normal block at 0x00000253C047C780, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x00000253C0569310, 135 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) : {3835230} normal block at 0x00000253BE816EE0, 8 bytes long.
Data: < ¾S > 00 00 7F BE 53 02 00 00
{3834589} normal block at 0x00000253C0569240, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x00000253BE817070, 8 bytes long.
Data: <@PVÀS > 40 50 56 C0 53 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000253BE8209E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000253BE80B3A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000253BE822600, 16 bytes long.
Data: <(@‚¾S > 28 40 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000253BE8225B0, 16 bytes long.
Data: < @‚¾S > 00 40 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000253BE81C4D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000253BE822510, 16 bytes long.
Data: <Ø?‚¾S > D8 3F 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000253BE8224C0, 16 bytes long.
Data: <°?‚¾S > B0 3F 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000253BE8223D0, 16 bytes long.
Data: < ?‚¾S > 88 3F 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000253BE821E30, 16 bytes long.
Data: <`?‚¾S > 60 3F 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000253BE81DB10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000253BE8222E0, 16 bytes long.
Data: <HÒ ¾S > 48 D2 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000253BE81BC90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000253BE821DE0, 16 bytes long.
Data: < Ò ¾S > 20 D2 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000253BE822290, 16 bytes long.
Data: <øÑ ¾S > F8 D1 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000253BE8221F0, 16 bytes long.
Data: <ÐÑ ¾S > D0 D1 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000253BE822330, 16 bytes long.
Data: <¨Ñ ¾S > A8 D1 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000253BE8221A0, 16 bytes long.
Data: < Ñ ¾S > 80 D1 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000253BE821A20, 16 bytes long.
Data: <XÑ ¾S > 58 D1 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000253BE81BF30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000253BE822100, 16 bytes long.
Data: <0Ñ ¾S > 30 D1 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000253BE81D130, 320 bytes long.
Data: < !‚¾S 0¿ ¾S > 00 21 82 BE 53 02 00 00 30 BF 81 BE 53 02 00 00
{270} normal block at 0x00000253BE8220B0, 16 bytes long.
Data: <@?‚¾S > 40 3F 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000253BE822470, 16 bytes long.
Data: < ?‚¾S > 18 3F 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000253BE81BB70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000253BE822650, 16 bytes long.
Data: <ð>‚¾S > F0 3E 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000253BE81BED0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000253BE822060, 16 bytes long.
Data: <8>‚¾S > 38 3E 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000253BE822560, 16 bytes long.
Data: < >‚¾S > 10 3E 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000253BE821D90, 16 bytes long.
Data: <è=‚¾S > E8 3D 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000253BE821D40, 16 bytes long.
Data: <À=‚¾S > C0 3D 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000253BE821C00, 16 bytes long.
Data: < =‚¾S > 98 3D 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000253BE822420, 16 bytes long.
Data: <p=‚¾S > 70 3D 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000253BE822010, 16 bytes long.
Data: <0Ú ¾S > 30 DA 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000253BE81DA30, 40 bytes long.
Data: < ‚¾S ÇGÀS > 10 20 82 BE 53 02 00 00 80 C7 47 C0 53 02 00 00
{256} normal block at 0x00000253BE821980, 16 bytes long.
Data: <P=‚¾S > 50 3D 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000253BE821A70, 16 bytes long.
Data: <(=‚¾S > 28 3D 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000253BE81C350, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000253BE821BB0, 16 bytes long.
Data: < =‚¾S > 00 3D 82 BE 53 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000253BE823D00, 992 bytes long.
Data: <° ‚¾S PÃ ¾S > B0 1B 82 BE 53 02 00 00 50 C3 81 BE 53 02 00 00
{88} normal block at 0x00000253BE81B9F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000253BE816BC0, 16 bytes long.
Data: <àØ ¾S > E0 D8 81 BE 53 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000253BE81D8E0, 40 bytes long.
Data: <Àk ¾S ð¹ ¾S > C0 6B 81 BE 53 02 00 00 F0 B9 81 BE 53 02 00 00
{65} normal block at 0x00000253BE8169E0, 16 bytes long.
Data: < ê ÷ > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000253BE816B70, 16 bytes long.
Data: <@é ÷ > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000253BE816DF0, 16 bytes long.
Data: <øW ÷ > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000253BE817570, 16 bytes long.
Data: <ØW ÷ > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000253BE816B20, 16 bytes long.
Data: <P ÷ > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000253BE8173E0, 16 bytes long.
Data: <0 ÷ > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000253BE817890, 16 bytes long.
Data: <à ÷ > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000253BE8177F0, 16 bytes long.
Data: < ÷ > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000253BE817520, 16 bytes long.
Data: <p ÷ > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000253BE8178E0, 16 bytes long.
Data: < À ÷ > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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