Task 38677975
| Name | test_549-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1492_0 |
| Workunit | 31619821 |
| Created | 26 Oct 2026, 16:00:39 UTC |
| Sent | 26 Oct 2026, 16:00:43 UTC |
| Report deadline | 31 Oct 2026, 16:00:43 UTC |
| Received | 26 Oct 2026, 17:00:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638078 |
| Run time | 20 min 8 sec |
| CPU time | 16 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 51,075.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 810.07 MB |
| Peak swap size | 10.09 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:41:05 (2008): wrapper (7.9.26016): starting
17:41:05 (2008): 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
17:41:06 (2008): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:41:06 (2008): 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\24\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\24\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
18:00:30 (2008): C:/Windows/system32/cmd.exe exited; CPU time 1002.093750
18:00:30 (2008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 26819410 bytes.
Dumping objects ->
{3835471} normal block at 0x0000029608B7B0B0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835460} normal block at 0x0000029608B7B5F0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835449} normal block at 0x0000029606CD49F0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835438} normal block at 0x0000029606CD48A0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835427} normal block at 0x0000029606CD4D70, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835396} normal block at 0x0000029608B66100, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835385} normal block at 0x0000029608B7C620, 85 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) : {3835382} normal block at 0x0000029606CCDAF0, 8 bytes long.
Data: < : – > 00 00 3A 07 96 02 00 00
{3834663} normal block at 0x0000029608B7CB20, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000029606CCD230, 8 bytes long.
Data: <pH¿ – > 70 48 BF 08 96 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000029606CD14A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000029606CBF8E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000029606CD6090, 16 bytes long.
Data: <heÍ – > 68 65 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000029606CD5B90, 16 bytes long.
Data: <@eÍ – > 40 65 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029606CCF7D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000029606CD5690, 16 bytes long.
Data: < eÍ – > 18 65 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029606CD5A00, 16 bytes long.
Data: <ðdÍ – > F0 64 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029606CD5730, 16 bytes long.
Data: <ÈdÍ – > C8 64 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029606CD5CD0, 16 bytes long.
Data: < dÍ – > A0 64 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029606CD4C20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000029606CD5640, 16 bytes long.
Data: <8çË – > 38 E7 CB 06 96 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029606CCF770, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000029606CD5280, 16 bytes long.
Data: < çË – > 10 E7 CB 06 96 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029606CD61D0, 16 bytes long.
Data: <èæË – > E8 E6 CB 06 96 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029606CD60E0, 16 bytes long.
Data: <ÀæË – > C0 E6 CB 06 96 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029606CD55F0, 16 bytes long.
Data: < æË – > 98 E6 CB 06 96 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029606CD5B40, 16 bytes long.
Data: <pæË – > 70 E6 CB 06 96 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029606CD5FF0, 16 bytes long.
Data: <HæË – > 48 E6 CB 06 96 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029606CCF710, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000029606CD6040, 16 bytes long.
Data: < æË – > 20 E6 CB 06 96 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029606CBE620, 320 bytes long.
Data: <@`Í – ÷Ì – > 40 60 CD 06 96 02 00 00 10 F7 CC 06 96 02 00 00
{280} normal block at 0x0000029606CD5FA0, 16 bytes long.
Data: < dÍ – > 80 64 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029606CD5500, 16 bytes long.
Data: <XdÍ – > 58 64 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029606CCF950, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000029606CD5E60, 16 bytes long.
Data: <0dÍ – > 30 64 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029606CCF6B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000029606CD5410, 16 bytes long.
Data: <xcÍ – > 78 63 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029606CD5E10, 16 bytes long.
Data: <PcÍ – > 50 63 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029606CD55A0, 16 bytes long.
Data: <(cÍ – > 28 63 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029606CD5DC0, 16 bytes long.
Data: < cÍ – > 00 63 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029606CD59B0, 16 bytes long.
Data: <ØbÍ – > D8 62 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029606CD5AA0, 16 bytes long.
Data: <°bÍ – > B0 62 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029606CD54B0, 16 bytes long.
Data: <°KÍ – > B0 4B CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029606CD4BB0, 40 bytes long.
Data: <°TÍ – a¶ – > B0 54 CD 06 96 02 00 00 00 61 B6 08 96 02 00 00
{266} normal block at 0x0000029606CD5AF0, 16 bytes long.
Data: < bÍ – > 90 62 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029606CD5550, 16 bytes long.
Data: <hbÍ – > 68 62 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029606CCED50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000029606CD5F50, 16 bytes long.
Data: <@bÍ – > 40 62 CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029606CD6240, 992 bytes long.
Data: <P_Í – PíÌ – > 50 5F CD 06 96 02 00 00 50 ED CC 06 96 02 00 00
{98} normal block at 0x0000029606CCEDB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000029606CCE040, 16 bytes long.
Data: <à Í – > E0 1E CD 06 96 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000029606CD1EE0, 40 bytes long.
Data: <@àÌ – °íÌ – > 40 E0 CC 06 96 02 00 00 B0 ED CC 06 96 02 00 00
{75} normal block at 0x0000029606CCDFF0, 16 bytes long.
Data: < êj ö > 80 EA 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000029606CCDAA0, 16 bytes long.
Data: <@éj ö > 40 E9 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000029606CCD960, 16 bytes long.
Data: <øWg ö > F8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000029606CCD820, 16 bytes long.
Data: <ØWg ö > D8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029606CCD320, 16 bytes long.
Data: <P g ö > 50 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029606CCD910, 16 bytes long.
Data: <0 g ö > 30 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029606CCD9B0, 16 bytes long.
Data: <à g ö > E0 02 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029606CCD5A0, 16 bytes long.
Data: < g ö > 10 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029606CCD7D0, 16 bytes long.
Data: <p g ö > 70 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029606CCD780, 16 bytes long.
Data: < Àe ö > 18 C0 65 01 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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