Task 38650317
| Name | test_18-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND6570_0 |
| Workunit | 31594830 |
| Created | 23 Oct 2026, 23:13:17 UTC |
| Sent | 23 Oct 2026, 23:40:59 UTC |
| Report deadline | 28 Oct 2026, 23:40:59 UTC |
| Received | 24 Oct 2026, 0:18:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642350 |
| Run time | 29 min 38 sec |
| CPU time | 27 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,408.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.37 MB |
| Peak swap size | 9.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:49:59 (352164): wrapper (7.9.26016): starting
18:49:59 (352164): 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
18:50:00 (352164): Library/usr/bin/tar.exe exited; CPU time 0.046875
18:50:00 (352164): 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
19:18:21 (352164): C:/Windows/system32/cmd.exe exited; CPU time 1658.890625
19:18:21 (352164): 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: 37513379 bytes.
Dumping objects ->
{3835248} normal block at 0x0000020EFCA30A70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x0000020EFCA31640, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x0000020EFCA31410, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x0000020EFCA31250, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x0000020EFCA313A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x0000020EFCB441C0, 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) : {3835160} normal block at 0x0000020EFADFCB30, 8 bytes long.
Data: < Úú > 00 00 DA FA 0E 02 00 00
{3833959} normal block at 0x0000020EFADFD350, 8 bytes long.
Data: < \åú > 00 5C E5 FA 0E 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020EFADDB120, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020EFADDC2A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000020EFADFD1C0, 16 bytes long.
Data: <Èjßú > C8 6A DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020EFADFCD60, 16 bytes long.
Data: < jßú > A0 6A DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020EFADFE110, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000020EFADFCD10, 16 bytes long.
Data: <xjßú > 78 6A DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020EFADFCBD0, 16 bytes long.
Data: <Pjßú > 50 6A DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020EFADFD170, 16 bytes long.
Data: <(jßú > 28 6A DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020EFADFD120, 16 bytes long.
Data: < jßú > 00 6A DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020EFADF4C20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000020EFADFCB80, 16 bytes long.
Data: <¨–ßú > A8 96 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020EFADFE590, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000020EFADFCAE0, 16 bytes long.
Data: < –ßú > 80 96 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020EFADFCFE0, 16 bytes long.
Data: <X–ßú > 58 96 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020EFADFCA90, 16 bytes long.
Data: <0–ßú > 30 96 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020EFADFC9A0, 16 bytes long.
Data: < –ßú > 08 96 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020EFADFC900, 16 bytes long.
Data: <à•ßú > E0 95 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020EFADFD0D0, 16 bytes long.
Data: <¸•ßú > B8 95 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020EFADFE2F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000020EFADFC9F0, 16 bytes long.
Data: < •ßú > 90 95 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020EFADF9590, 320 bytes long.
Data: <ðÉßú ðâßú > F0 C9 DF FA 0E 02 00 00 F0 E2 DF FA 0E 02 00 00
{275} normal block at 0x0000020EFADFCCC0, 16 bytes long.
Data: <àißú > E0 69 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020EFADFD760, 16 bytes long.
Data: <¸ißú > B8 69 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020EFADFE650, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000020EFADFD710, 16 bytes long.
Data: < ißú > 90 69 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020EFADFE470, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000020EFADFD530, 16 bytes long.
Data: <Øhßú > D8 68 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020EFADFD6C0, 16 bytes long.
Data: <°hßú > B0 68 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020EFADFD030, 16 bytes long.
Data: < hßú > 88 68 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020EFADFCF90, 16 bytes long.
Data: <`hßú > 60 68 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020EFADFD620, 16 bytes long.
Data: <8hßú > 38 68 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020EFADFD4E0, 16 bytes long.
Data: < hßú > 10 68 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020EFADFCC70, 16 bytes long.
Data: < Hßú > A0 48 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020EFADF48A0, 40 bytes long.
Data: <pÌßú ÀA´ü > 70 CC DF FA 0E 02 00 00 C0 41 B4 FC 0E 02 00 00
{261} normal block at 0x0000020EFADFD080, 16 bytes long.
Data: <ðgßú > F0 67 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020EFADFD440, 16 bytes long.
Data: <Ègßú > C8 67 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020EFADE3620, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000020EFADFCDB0, 16 bytes long.
Data: < gßú > A0 67 DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020EFADF67A0, 992 bytes long.
Data: <°Íßú 6Þú > B0 CD DF FA 0E 02 00 00 20 36 DE FA 0E 02 00 00
{93} normal block at 0x0000020EFADE2C00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000020EFADE8DB0, 16 bytes long.
Data: <°Kßú > B0 4B DF FA 0E 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000020EFADF4BB0, 40 bytes long.
Data: <° Þú ,Þú > B0 8D DE FA 0E 02 00 00 00 2C DE FA 0E 02 00 00
{70} normal block at 0x0000020EFADE9800, 16 bytes long.
Data: < êÿšö > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020EFADE9710, 16 bytes long.
Data: <@éÿšö > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020EFADE9670, 16 bytes long.
Data: <øWüšö > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020EFADE92B0, 16 bytes long.
Data: <ØWüšö > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020EFADE9760, 16 bytes long.
Data: <P üšö > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020EFADE9850, 16 bytes long.
Data: <0 üšö > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020EFADE9C10, 16 bytes long.
Data: <à üšö > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020EFADE9B70, 16 bytes long.
Data: < üšö > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020EFADE9B20, 16 bytes long.
Data: <p üšö > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020EFADE9620, 16 bytes long.
Data: < Àúšö > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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