Task 38665411
| Name | test_604-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4972_0 |
| Workunit | 31608509 |
| Created | 25 Oct 2026, 1:05:11 UTC |
| Sent | 25 Oct 2026, 1:07:43 UTC |
| Report deadline | 30 Oct 2026, 1:07:43 UTC |
| Received | 25 Oct 2026, 19:12:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 15 hours 45 min 32 sec |
| CPU time | 14 hours 49 min 40 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 748.52 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.18 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:29:34 (66592): wrapper (7.9.26016): starting
22:29:34 (66592): 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
22:29:35 (66592): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:29:35 (66592): 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
14:12:00 (66592): C:/Windows/system32/cmd.exe exited; CPU time 53380.312500
14:12:00 (66592): 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: 1649494607 bytes.
Dumping objects ->
{3835485} normal block at 0x000001C9DAD44170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x000001C9DAD43FB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835463} normal block at 0x000001C9DAD43F40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835452} normal block at 0x000001C9DAD43DF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x000001C9DAD43ED0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835410} normal block at 0x000001C9DD04E0E0, 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) : {3835397} normal block at 0x000001C9DAD393A0, 8 bytes long.
Data: < ÌÚÉ > 00 00 CC DA C9 01 00 00
{3833949} normal block at 0x000001C9DAD39850, 8 bytes long.
Data: <PÉÖÚÉ > 50 C9 D6 DA C9 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C9DAD352C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C9DAD3F1E0, 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 0x000001C9DAD45020, 16 bytes long.
Data: <(WÔÚÉ > 28 57 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C9DAD44F80, 16 bytes long.
Data: < WÔÚÉ > 00 57 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C9DAD3F860, 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 0x000001C9DAD45340, 16 bytes long.
Data: <ØVÔÚÉ > D8 56 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C9DAD44E90, 16 bytes long.
Data: <°VÔÚÉ > B0 56 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C9DAD44C10, 16 bytes long.
Data: < VÔÚÉ > 88 56 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C9DAD44BC0, 16 bytes long.
Data: <`VÔÚÉ > 60 56 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C9DAD43D80, 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 0x000001C9DAD44B20, 16 bytes long.
Data: <xôÒÚÉ > 78 F4 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C9DAD40580, 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 0x000001C9DAD45110, 16 bytes long.
Data: <PôÒÚÉ > 50 F4 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C9DAD44A80, 16 bytes long.
Data: <(ôÒÚÉ > 28 F4 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C9DAD452A0, 16 bytes long.
Data: < ôÒÚÉ > 00 F4 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C9DAD44760, 16 bytes long.
Data: <ØóÒÚÉ > D8 F3 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C9DAD44FD0, 16 bytes long.
Data: <°óÒÚÉ > B0 F3 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C9DAD44DA0, 16 bytes long.
Data: < óÒÚÉ > 88 F3 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C9DAD40520, 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 0x000001C9DAD44C60, 16 bytes long.
Data: <`óÒÚÉ > 60 F3 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C9DAD2F360, 320 bytes long.
Data: <`LÔÚÉ ÔÚÉ > 60 4C D4 DA C9 01 00 00 20 05 D4 DA C9 01 00 00
{270} normal block at 0x000001C9DAD448F0, 16 bytes long.
Data: <@VÔÚÉ > 40 56 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C9DAD44E40, 16 bytes long.
Data: < VÔÚÉ > 18 56 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C9DAD3F9E0, 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 0x000001C9DAD451B0, 16 bytes long.
Data: <ðUÔÚÉ > F0 55 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C9DAD3FE00, 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 0x000001C9DAD44F30, 16 bytes long.
Data: <8UÔÚÉ > 38 55 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C9DAD449E0, 16 bytes long.
Data: < UÔÚÉ > 10 55 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C9DAD44AD0, 16 bytes long.
Data: <èTÔÚÉ > E8 54 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C9DAD44EE0, 16 bytes long.
Data: <ÀTÔÚÉ > C0 54 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C9DAD44710, 16 bytes long.
Data: < TÔÚÉ > 98 54 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C9DAD44A30, 16 bytes long.
Data: <pTÔÚÉ > 70 54 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C9DAD44CB0, 16 bytes long.
Data: < @ÔÚÉ > 20 40 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C9DAD44020, 40 bytes long.
Data: <°LÔÚÉ àà ÝÉ > B0 4C D4 DA C9 01 00 00 E0 E0 04 DD C9 01 00 00
{256} normal block at 0x000001C9DAD450C0, 16 bytes long.
Data: <PTÔÚÉ > 50 54 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C9DAD44D50, 16 bytes long.
Data: <(TÔÚÉ > 28 54 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001C9DAD40460, 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 0x000001C9DAD448A0, 16 bytes long.
Data: < TÔÚÉ > 00 54 D4 DA C9 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001C9DAD45400, 992 bytes long.
Data: < HÔÚÉ ` ÔÚÉ > A0 48 D4 DA C9 01 00 00 60 04 D4 DA C9 01 00 00
{88} normal block at 0x000001C9DAD40400, 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 0x000001C9DAD39940, 16 bytes long.
Data: < ØÒÚÉ > 80 D8 D2 DA C9 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001C9DAD2D880, 40 bytes long.
Data: <@ ÓÚÉ ÔÚÉ > 40 99 D3 DA C9 01 00 00 00 04 D4 DA C9 01 00 00
{65} normal block at 0x000001C9DAD38F90, 16 bytes long.
Data: < êâÖö > 80 EA E2 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C9DAD39120, 16 bytes long.
Data: <@éâÖö > 40 E9 E2 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C9DAD397B0, 16 bytes long.
Data: <øWßÖö > F8 57 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C9DAD39A80, 16 bytes long.
Data: <ØWßÖö > D8 57 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C9DAD39300, 16 bytes long.
Data: <P ßÖö > 50 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C9DAD39170, 16 bytes long.
Data: <0 ßÖö > 30 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C9DAD39DF0, 16 bytes long.
Data: <à ßÖö > E0 02 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C9DAD38F40, 16 bytes long.
Data: < ßÖö > 10 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C9DAD395D0, 16 bytes long.
Data: <p ßÖö > 70 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C9DAD38FE0, 16 bytes long.
Data: < ÀÝÖö > 18 C0 DD D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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