Task 38660440
| Name | test_797-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND3095_0 |
| Workunit | 31603945 |
| Created | 24 Oct 2026, 14:09:50 UTC |
| Sent | 24 Oct 2026, 14:12:43 UTC |
| Report deadline | 29 Oct 2026, 14:12:43 UTC |
| Received | 24 Oct 2026, 18:28:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652341 |
| Run time | 1 hours 1 min 23 sec |
| CPU time | 37 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,346.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.57 MB |
| Peak swap size | 2.35 GB |
| Peak disk usage | 4.14 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:05:15 (11724): wrapper (7.9.26016): starting
18:05:15 (11724): 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
18:05:17 (11724): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:05:17 (11724): 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
19:04:10 (11724): C:/Windows/system32/cmd.exe exited; CPU time 2220.843750
19:04:10 (11724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 40289327 bytes.
Dumping objects ->
{3835271} normal block at 0x000001DC8D6700C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835260} normal block at 0x000001DC8D66F8E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835249} normal block at 0x000001DC8B9F4100, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835238} normal block at 0x000001DC8B9F4090, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x000001DC8B9F46B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835196} normal block at 0x000001DC8D6E3A90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x000001DC8D6FDDC0, 102 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) : {3835182} normal block at 0x000001DC8B9EDD60, 8 bytes long.
Data: < š‹Ü > 00 00 9A 8B DC 01 00 00
{3834562} normal block at 0x000001DC8D6FE4A0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001DC8B9EE3A0, 8 bytes long.
Data: < Ö ‹Ü > 90 D6 9D 8B DC 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DC8B9F05A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DC8B9E58C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001DC8B9F55E0, 16 bytes long.
Data: <h_Ÿ‹Ü > 68 5F 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DC8B9F52C0, 16 bytes long.
Data: <@_Ÿ‹Ü > 40 5F 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DC8B9EEDF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001DC8B9F4CD0, 16 bytes long.
Data: < _Ÿ‹Ü > 18 5F 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DC8B9F5090, 16 bytes long.
Data: <ð^Ÿ‹Ü > F0 5E 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DC8B9F5540, 16 bytes long.
Data: <È^Ÿ‹Ü > C8 5E 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DC8B9F5590, 16 bytes long.
Data: < ^Ÿ‹Ü > A0 5E 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DC8B9F4720, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001DC8B9F5220, 16 bytes long.
Data: <hIŸ‹Ü > 68 49 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DC8B9EF090, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001DC8B9F4C80, 16 bytes long.
Data: <@IŸ‹Ü > 40 49 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DC8B9F4F50, 16 bytes long.
Data: < IŸ‹Ü > 18 49 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DC8B9F54F0, 16 bytes long.
Data: <ðHŸ‹Ü > F0 48 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DC8B9F5B30, 16 bytes long.
Data: <ÈHŸ‹Ü > C8 48 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DC8B9F5AE0, 16 bytes long.
Data: < HŸ‹Ü > A0 48 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DC8B9F5310, 16 bytes long.
Data: <xHŸ‹Ü > 78 48 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DC8B9EEE50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001DC8B9F5A40, 16 bytes long.
Data: <PHŸ‹Ü > 50 48 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DC8B9F4850, 320 bytes long.
Data: <@ZŸ‹Ü Pîž‹Ü > 40 5A 9F 8B DC 01 00 00 50 EE 9E 8B DC 01 00 00
{274} normal block at 0x000001DC8B9F5270, 16 bytes long.
Data: < ^Ÿ‹Ü > 80 5E 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DC8B9F5BD0, 16 bytes long.
Data: <X^Ÿ‹Ü > 58 5E 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DC8B9EF570, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001DC8B9F54A0, 16 bytes long.
Data: <0^Ÿ‹Ü > 30 5E 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DC8B9EF6F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001DC8B9F57C0, 16 bytes long.
Data: <x]Ÿ‹Ü > 78 5D 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DC8B9F4F00, 16 bytes long.
Data: <P]Ÿ‹Ü > 50 5D 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DC8B9F5450, 16 bytes long.
Data: <(]Ÿ‹Ü > 28 5D 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DC8B9F58B0, 16 bytes long.
Data: < ]Ÿ‹Ü > 00 5D 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DC8B9F5810, 16 bytes long.
Data: <Ø\Ÿ‹Ü > D8 5C 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DC8B9F4E60, 16 bytes long.
Data: <°\Ÿ‹Ü > B0 5C 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DC8B9F5A90, 16 bytes long.
Data: <ðDŸ‹Ü > F0 44 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DC8B9F44F0, 40 bytes long.
Data: < ZŸ‹Ü :n Ü > 90 5A 9F 8B DC 01 00 00 90 3A 6E 8D DC 01 00 00
{260} normal block at 0x000001DC8B9F59A0, 16 bytes long.
Data: < \Ÿ‹Ü > 90 5C 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DC8B9F5860, 16 bytes long.
Data: <h\Ÿ‹Ü > 68 5C 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DC8B9EF330, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001DC8B9F4E10, 16 bytes long.
Data: <@\Ÿ‹Ü > 40 5C 9F 8B DC 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001DC8B9F5C40, 992 bytes long.
Data: < NŸ‹Ü 0óž‹Ü > 10 4E 9F 8B DC 01 00 00 30 F3 9E 8B DC 01 00 00
{92} normal block at 0x000001DC8B9EF030, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001DC8B9EE080, 16 bytes long.
Data: <PÛ ‹Ü > 50 DB 9D 8B DC 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001DC8B9DDB50, 40 bytes long.
Data: < àž‹Ü 0ðž‹Ü > 80 E0 9E 8B DC 01 00 00 30 F0 9E 8B DC 01 00 00
{69} normal block at 0x000001DC8B9EEC10, 16 bytes long.
Data: < êö ö > 80 EA F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DC8B9EEB70, 16 bytes long.
Data: <@éö ö > 40 E9 F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DC8B9EE8A0, 16 bytes long.
Data: <øWó ö > F8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DC8B9EE9E0, 16 bytes long.
Data: <ØWó ö > D8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DC8B9EE440, 16 bytes long.
Data: <P ó ö > 50 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DC8B9EE2B0, 16 bytes long.
Data: <0 ó ö > 30 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DC8B9EEB20, 16 bytes long.
Data: <à ó ö > E0 02 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DC8B9EDF90, 16 bytes long.
Data: < ó ö > 10 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DC8B9EE940, 16 bytes long.
Data: <p ó ö > 70 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DC8B9EE210, 16 bytes long.
Data: < Àñ ö > 18 C0 F1 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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