Task 38651076
| Name | test_84-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND8032_0 |
| Workunit | 31595520 |
| Created | 24 Oct 2026, 0:52:48 UTC |
| Sent | 24 Oct 2026, 1:09:09 UTC |
| Report deadline | 29 Oct 2026, 1:09:09 UTC |
| Received | 24 Oct 2026, 4:06:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653921 |
| Run time | 1 hours 20 min 20 sec |
| CPU time | 1 hours 20 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,101.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 678.15 MB |
| Peak swap size | 6.83 GB |
| Peak disk usage | 1.47 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:25:43 (35824): wrapper (7.9.26016): starting
06:25:43 (35824): 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
06:28:36 (35824): Library/usr/bin/tar.exe exited; CPU time 0.062500
06:28:36 (35824): 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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835089} normal block at 0x000002062D799860, 8 bytes long.
Data: < t- > 00 00 74 2D 06 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x000002062F367D00, 1080 bytes long.
Data: < 0 > A8 85 00 00 CD CD CD CD 30 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002062D77C680, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:00:14 (35236): wrapper (7.9.26016): starting
09:00:14 (35236): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\0\tmp 㦥 áãé¥áâ¢ã¥â.
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
09:03:36 (35236): C:/Windows/system32/cmd.exe exited; CPU time 158.421875
09:03:36 (35236): 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: 3695862 bytes.
Dumping objects ->
{1528} normal block at 0x000001F13E251A50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1517} normal block at 0x000001F13E251D60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1506} normal block at 0x000001F13E251E40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1495} normal block at 0x000001F13E251890, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1484} normal block at 0x000001F13E251820, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1453} normal block at 0x000001F13E23C190, 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) : {1440} normal block at 0x000001F13E257570, 8 bytes long.
Data: < ? > 00 00 B5 3F F1 01 00 00
{300} normal block at 0x000001F13E257200, 8 bytes long.
Data: < %> > E0 7F 25 3E F1 01 00 00
{291} normal block at 0x000001F13E235610, 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 0x000001F13E2578E0, 16 bytes long.
Data: < n%> > D8 6E 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F13E257E30, 16 bytes long.
Data: < n%> > B0 6E 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F13E249840, 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 0x000001F13E2572A0, 16 bytes long.
Data: < n%> > 88 6E 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F13E253E90, 16 bytes long.
Data: <`n%> > 60 6E 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F13E253DF0, 16 bytes long.
Data: <8n%> > 38 6E 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F13E253CB0, 16 bytes long.
Data: < n%> > 10 6E 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F13E251DD0, 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 0x000001F13E253A80, 16 bytes long.
Data: <( #> > 28 C1 23 3E F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F13E249900, 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 0x000001F13E253850, 16 bytes long.
Data: < #> > 00 C1 23 3E F1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F13E253710, 16 bytes long.
Data: < #> > D8 C0 23 3E F1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F13E253C60, 16 bytes long.
Data: < #> > B0 C0 23 3E F1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F13E253440, 16 bytes long.
Data: < #> > 88 C0 23 3E F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F13E2533F0, 16 bytes long.
Data: <` #> > 60 C0 23 3E F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F13E2536C0, 16 bytes long.
Data: <8 #> > 38 C0 23 3E F1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F13E24A560, 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 0x000001F13E2533A0, 16 bytes long.
Data: < #> > 10 C0 23 3E F1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F13E23C010, 320 bytes long.
Data: < 3%> ` $> > A0 33 25 3E F1 01 00 00 60 A5 24 3E F1 01 00 00
{270} normal block at 0x000001F13E253670, 16 bytes long.
Data: < m%> > F0 6D 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F13E2539E0, 16 bytes long.
Data: < m%> > C8 6D 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F13E24A440, 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 0x000001F13E253170, 16 bytes long.
Data: < m%> > A0 6D 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F13E24A4A0, 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 0x000001F13E253350, 16 bytes long.
Data: < l%> > E8 6C 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F13E253210, 16 bytes long.
Data: < l%> > C0 6C 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F13E253120, 16 bytes long.
Data: < l%> > 98 6C 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F13E253300, 16 bytes long.
Data: <pl%> > 70 6C 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F13E2530D0, 16 bytes long.
Data: <Hl%> > 48 6C 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F13E253080, 16 bytes long.
Data: < l%> > 20 6C 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F13E253760, 16 bytes long.
Data: <0 %> > 30 1B 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F13E251B30, 40 bytes long.
Data: <`7%> #> > 60 37 25 3E F1 01 00 00 90 C1 23 3E F1 01 00 00
{256} normal block at 0x000001F13E253B70, 16 bytes long.
Data: < l%> > 00 6C 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F13E253B20, 16 bytes long.
Data: < k%> > D8 6B 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F13E249AE0, 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 0x000001F13E2531C0, 16 bytes long.
Data: < k%> > B0 6B 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F13E256BB0, 992 bytes long.
Data: < 1%> $> > C0 31 25 3E F1 01 00 00 E0 9A 24 3E F1 01 00 00
{88} normal block at 0x000001F13E24A020, 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 0x000001F13E253580, 16 bytes long.
Data: < %> > B0 17 25 3E F1 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001F13E2517B0, 40 bytes long.
Data: < 5%> $> > 80 35 25 3E F1 01 00 00 20 A0 24 3E F1 01 00 00
{65} normal block at 0x000001F13E253C10, 16 bytes long.
Data: < > 80 EA D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F13E253530, 16 bytes long.
Data: <@ > 40 E9 D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F13E253800, 16 bytes long.
Data: < W > F8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F13E253DA0, 16 bytes long.
Data: < W > D8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F13E246FE0, 16 bytes long.
Data: <P > 50 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F13E247A30, 16 bytes long.
Data: <0 > 30 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F13E2475D0, 16 bytes long.
Data: < > E0 02 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F13E2479E0, 16 bytes long.
Data: < > 10 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F13E247580, 16 bytes long.
Data: <p > 70 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F13E246F40, 16 bytes long.
Data: < > 18 C0 CE A8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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