Task 38688984
| Name | test_593-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4883_0 |
| Workunit | 31630270 |
| Created | 28 Oct 2026, 17:24:25 UTC |
| Sent | 28 Oct 2026, 17:24:29 UTC |
| Report deadline | 2 Nov 2026, 17:24:29 UTC |
| Received | 28 Oct 2026, 18:25:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613730 |
| Run time | 29 min 50 sec |
| CPU time | 28 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 58,709.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.02 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:54:31 (8780): wrapper (7.9.26016): starting
18:54:31 (8780): 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
18:54:32 (8780): Library/usr/bin/tar.exe exited; CPU time 0.031250
18:54:32 (8780): 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\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 'C:\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
19:23:20 (8780): C:/Windows/system32/cmd.exe exited; CPU time 1694.906250
19:23:20 (8780): 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: 36232675 bytes.
Dumping objects ->
{3835716} normal block at 0x00000186CFD5C1D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835705} normal block at 0x00000186CFD5BD00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835694} normal block at 0x00000186CFD5B980, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835683} normal block at 0x00000186CFD5B830, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835672} normal block at 0x00000186CFD5C160, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835641} normal block at 0x00000186D19F7BB0, 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) : {3835628} normal block at 0x00000186CFD300E0, 8 bytes long.
Data: < І > 00 00 10 D0 86 01 00 00
{3833972} normal block at 0x00000186CFD30630, 8 bytes long.
Data: <ðe¥Ñ† > F0 65 A5 D1 86 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000186CFD2AFF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000186CFD254F0, 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 0x00000186CFD38E80, 16 bytes long.
Data: <X“Óφ > 58 93 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000186CFD38E30, 16 bytes long.
Data: <0“Óφ > 30 93 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000186CFD321B0, 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 0x00000186CFD38DE0, 16 bytes long.
Data: < “Óφ > 08 93 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000186CFD38070, 16 bytes long.
Data: <à’Óφ > E0 92 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000186CFD38CF0, 16 bytes long.
Data: <¸’Óφ > B8 92 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000186CFD38C50, 16 bytes long.
Data: < ’Óφ > 90 92 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000186CFD33FA0, 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 0x00000186CFD38CA0, 16 bytes long.
Data: <XãÑφ > 58 E3 D1 CF 86 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000186CFD32AB0, 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 0x00000186CFD38BB0, 16 bytes long.
Data: <0ãÑφ > 30 E3 D1 CF 86 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000186CFD38110, 16 bytes long.
Data: < ãÑφ > 08 E3 D1 CF 86 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000186CFD38390, 16 bytes long.
Data: <àâÑφ > E0 E2 D1 CF 86 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000186CFD38ED0, 16 bytes long.
Data: <¸âÑφ > B8 E2 D1 CF 86 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000186CFD38C00, 16 bytes long.
Data: < âÑφ > 90 E2 D1 CF 86 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000186CFD38B10, 16 bytes long.
Data: <hâÑφ > 68 E2 D1 CF 86 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000186CFD32150, 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 0x00000186CFD389D0, 16 bytes long.
Data: <@âÑφ > 40 E2 D1 CF 86 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000186CFD1E240, 320 bytes long.
Data: <ЉÓφ P!Óφ > D0 89 D3 CF 86 01 00 00 50 21 D3 CF 86 01 00 00
{279} normal block at 0x00000186CFD382A0, 16 bytes long.
Data: <p’Óφ > 70 92 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000186CFD38520, 16 bytes long.
Data: <H’Óφ > 48 92 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000186CFD32570, 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 0x00000186CFD380C0, 16 bytes long.
Data: < ’Óφ > 20 92 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000186CFD32210, 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 0x00000186CFD38660, 16 bytes long.
Data: <h‘Óφ > 68 91 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000186CFD384D0, 16 bytes long.
Data: <@‘Óφ > 40 91 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000186CFD38D90, 16 bytes long.
Data: < ‘Óφ > 18 91 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000186CFD38250, 16 bytes long.
Data: <ð Óφ > F0 90 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000186CFD38480, 16 bytes long.
Data: <È Óφ > C8 90 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000186CFD38930, 16 bytes long.
Data: <  Óφ > A0 90 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000186CFD38A70, 16 bytes long.
Data: < <Óφ > 90 3C D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000186CFD33C90, 40 bytes long.
Data: <pŠÓφ °{ŸÑ† > 70 8A D3 CF 86 01 00 00 B0 7B 9F D1 86 01 00 00
{265} normal block at 0x00000186CFD38340, 16 bytes long.
Data: < Óφ > 80 90 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000186CFD38840, 16 bytes long.
Data: <X Óφ > 58 90 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000186CFD328D0, 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 0x00000186CFD38A20, 16 bytes long.
Data: <0 Óφ > 30 90 D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000186CFD39030, 992 bytes long.
Data: < ŠÓφ Ð(Óφ > 20 8A D3 CF 86 01 00 00 D0 28 D3 CF 86 01 00 00
{97} normal block at 0x00000186CFD31EB0, 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 0x00000186CFD30AE0, 16 bytes long.
Data: <°;Óφ > B0 3B D3 CF 86 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000186CFD33BB0, 40 bytes long.
Data: <à Óφ ° Óφ > E0 0A D3 CF 86 01 00 00 B0 1E D3 CF 86 01 00 00
{74} normal block at 0x00000186CFD2FE60, 16 bytes long.
Data: < ê2 ÷ > 80 EA 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000186CFD30310, 16 bytes long.
Data: <@é2 ÷ > 40 E9 32 BD F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000186CFD309A0, 16 bytes long.
Data: <øW/ ÷ > F8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000186CFD2FD70, 16 bytes long.
Data: <ØW/ ÷ > D8 57 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000186CFD2FDC0, 16 bytes long.
Data: <P / ÷ > 50 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000186CFD304A0, 16 bytes long.
Data: <0 / ÷ > 30 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000186CFD30950, 16 bytes long.
Data: <à / ÷ > E0 02 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000186CFD30A90, 16 bytes long.
Data: < / ÷ > 10 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000186CFD304F0, 16 bytes long.
Data: <p / ÷ > 70 04 2F BD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000186CFD2FF00, 16 bytes long.
Data: < À- ÷ > 18 C0 2D BD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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