Task 38687595
| Name | test_600-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7740_1 |
| Workunit | 31628963 |
| Created | 28 Oct 2026, 8:39:30 UTC |
| Sent | 28 Oct 2026, 8:39:33 UTC |
| Report deadline | 2 Nov 2026, 8:39:33 UTC |
| Received | 28 Oct 2026, 9:16:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635136 |
| Run time | 33 min 14 sec |
| CPU time | 32 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,219.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.38 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:44:19 (36748): wrapper (7.9.26016): starting
08:44:19 (36748): 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
08:44:20 (36748): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:44:20 (36748): 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\13\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\13\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
09:17:45 (36748): C:/Windows/system32/cmd.exe exited; CPU time 1926.796875
09:17:45 (36748): 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: 39898389 bytes.
Dumping objects ->
{3835188} normal block at 0x000001DB8D871020, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x000001DB8D871090, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835166} normal block at 0x000001DB8D870990, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835155} normal block at 0x000001DB8D870BC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835144} normal block at 0x000001DB8D871640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835113} normal block at 0x000001DB8D91B190, 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) : {3835100} normal block at 0x000001DB8BD56F00, 8 bytes long.
Data: < Ó‹Û > 00 00 D3 8B DB 01 00 00
{3833951} normal block at 0x000001DB8BD56820, 8 bytes long.
Data: <À÷Ú‹Û > C0 F7 DA 8B DB 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001DB8BD61140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DB8BD4AF00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001DB8BD62540, 16 bytes long.
Data: <x7Ö‹Û > 78 37 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DB8BD62D10, 16 bytes long.
Data: <P7Ö‹Û > 50 37 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DB8BD5CEE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001DB8BD62CC0, 16 bytes long.
Data: <(7Ö‹Û > 28 37 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DB8BD62C70, 16 bytes long.
Data: < 7Ö‹Û > 00 37 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DB8BD624F0, 16 bytes long.
Data: <Ø6Ö‹Û > D8 36 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DB8BD62C20, 16 bytes long.
Data: <°6Ö‹Û > B0 36 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DB8BD5B5B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001DB8BD624A0, 16 bytes long.
Data: < ÅÕ‹Û > 88 C5 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DB8BD5CE20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001DB8BD62090, 16 bytes long.
Data: <`ÅÕ‹Û > 60 C5 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DB8BD625E0, 16 bytes long.
Data: <8ÅÕ‹Û > 38 C5 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DB8BD621D0, 16 bytes long.
Data: < ÅÕ‹Û > 10 C5 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DB8BD62450, 16 bytes long.
Data: <èÄÕ‹Û > E8 C4 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DB8BD62180, 16 bytes long.
Data: <ÀÄÕ‹Û > C0 C4 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DB8BD628B0, 16 bytes long.
Data: < ÄÕ‹Û > 98 C4 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DB8BD5D3C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001DB8BD62400, 16 bytes long.
Data: <pÄÕ‹Û > 70 C4 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DB8BD5C470, 320 bytes long.
Data: < $Ö‹Û ÀÓÕ‹Û > 00 24 D6 8B DB 01 00 00 C0 D3 D5 8B DB 01 00 00
{271} normal block at 0x000001DB8BD62680, 16 bytes long.
Data: < 6Ö‹Û > 90 36 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DB8BD62F40, 16 bytes long.
Data: <h6Ö‹Û > 68 36 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DB8BD5C940, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001DB8BD62270, 16 bytes long.
Data: <@6Ö‹Û > 40 36 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DB8BD5D060, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001DB8BD62360, 16 bytes long.
Data: < 5Ö‹Û > 88 35 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DB8BD62220, 16 bytes long.
Data: <`5Ö‹Û > 60 35 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DB8BD62D60, 16 bytes long.
Data: <85Ö‹Û > 38 35 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DB8BD62130, 16 bytes long.
Data: < 5Ö‹Û > 10 35 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DB8BD62590, 16 bytes long.
Data: <è4Ö‹Û > E8 34 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DB8BD62EF0, 16 bytes long.
Data: <À4Ö‹Û > C0 34 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DB8BD62B80, 16 bytes long.
Data: <`´Õ‹Û > 60 B4 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DB8BD5B460, 40 bytes long.
Data: < +Ö‹Û ±‘ Û > 80 2B D6 8B DB 01 00 00 90 B1 91 8D DB 01 00 00
{257} normal block at 0x000001DB8BD620E0, 16 bytes long.
Data: < 4Ö‹Û > A0 34 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001DB8BD62B30, 16 bytes long.
Data: <x4Ö‹Û > 78 34 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DB8BD5CB20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001DB8BD627C0, 16 bytes long.
Data: <P4Ö‹Û > 50 34 D6 8B DB 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001DB8BD63450, 992 bytes long.
Data: <À'Ö‹Û ËÕ‹Û > C0 27 D6 8B DB 01 00 00 20 CB D5 8B DB 01 00 00
{89} normal block at 0x000001DB8BD5D480, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001DB8BD56A00, 16 bytes long.
Data: <P¸Õ‹Û > 50 B8 D5 8B DB 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001DB8BD5B850, 40 bytes long.
Data: < jÕ‹Û ÔÕ‹Û > 00 6A D5 8B DB 01 00 00 80 D4 D5 8B DB 01 00 00
{66} normal block at 0x000001DB8BD56910, 16 bytes long.
Data: < êèW÷ > 80 EA E8 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DB8BD56E60, 16 bytes long.
Data: <@éèW÷ > 40 E9 E8 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DB8BD56D70, 16 bytes long.
Data: <øWåW÷ > F8 57 E5 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DB8BD57180, 16 bytes long.
Data: <ØWåW÷ > D8 57 E5 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DB8BD563C0, 16 bytes long.
Data: <P åW÷ > 50 04 E5 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DB8BD56D20, 16 bytes long.
Data: <0 åW÷ > 30 04 E5 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DB8BD56500, 16 bytes long.
Data: <à åW÷ > E0 02 E5 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DB8BD56C80, 16 bytes long.
Data: < åW÷ > 10 04 E5 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001DB8BD56410, 16 bytes long.
Data: <p åW÷ > 70 04 E5 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001DB8BD56CD0, 16 bytes long.
Data: < ÀãW÷ > 18 C0 E3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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