Task 38676381
| Name | test_320-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND1714_0 |
| Workunit | 31618302 |
| Created | 26 Oct 2026, 11:09:44 UTC |
| Sent | 26 Oct 2026, 11:09:52 UTC |
| Report deadline | 31 Oct 2026, 11:09:52 UTC |
| Received | 26 Oct 2026, 13:44:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654843 |
| Run time | 49 min 13 sec |
| CPU time | 40 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 669.82 MB |
| Peak swap size | 1.56 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:55:54 (6932): wrapper (7.9.26016): starting
14:55:54 (6932): 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
14:55:56 (6932): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:55:56 (6932): 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\1\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\1\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: Exiting with failure status due to previous errors
15:42:32 (6932): C:/Windows/system32/cmd.exe exited; CPU time 2436.750000
15:42:32 (6932): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 30199421 bytes.
Dumping objects ->
{3835229} normal block at 0x000002710E909AB0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000002710E909C00, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x000002710E909B90, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835196} normal block at 0x000002710E909F80, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x000002710E909F10, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835154} normal block at 0x000002710E8AE910, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835143} normal block at 0x000002710CE9AF80, 160 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) : {3835140} normal block at 0x000002710CE67BA0, 8 bytes long.
Data: < Þ q > 00 00 DE 0C 71 02 00 00
{3834539} normal block at 0x000002710CE9B220, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000002710CE67A60, 8 bytes long.
Data: <P?• q > 50 3F 95 0E 71 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002710CE716C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002710CE55AA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000002710CE72E80, 16 bytes long.
Data: <ÈGç q > C8 47 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002710CE72980, 16 bytes long.
Data: < Gç q > A0 47 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002710CE6D9D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000002710CE73060, 16 bytes long.
Data: <xGç q > 78 47 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002710CE72C00, 16 bytes long.
Data: <PGç q > 50 47 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002710CE72E30, 16 bytes long.
Data: <(Gç q > 28 47 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002710CE72F70, 16 bytes long.
Data: < Gç q > 00 47 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002710CE6C9A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000002710CE73100, 16 bytes long.
Data: <8Zå q > 38 5A E5 0C 71 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002710CE6E5D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000002710CE72DE0, 16 bytes long.
Data: < Zå q > 10 5A E5 0C 71 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002710CE72AC0, 16 bytes long.
Data: <èYå q > E8 59 E5 0C 71 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002710CE72930, 16 bytes long.
Data: <ÀYå q > C0 59 E5 0C 71 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002710CE73240, 16 bytes long.
Data: < Yå q > 98 59 E5 0C 71 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002710CE728E0, 16 bytes long.
Data: <pYå q > 70 59 E5 0C 71 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002710CE726B0, 16 bytes long.
Data: <HYå q > 48 59 E5 0C 71 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002710CE6DA30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002710CE73330, 16 bytes long.
Data: < Yå q > 20 59 E5 0C 71 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002710CE55920, 320 bytes long.
Data: <03ç q 0Úæ q > 30 33 E7 0C 71 02 00 00 30 DA E6 0C 71 02 00 00
{268} normal block at 0x000002710CE733D0, 16 bytes long.
Data: <àFç q > E0 46 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002710CE73380, 16 bytes long.
Data: <¸Fç q > B8 46 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002710CE6D970, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000002710CE72D40, 16 bytes long.
Data: < Fç q > 90 46 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002710CE6E2D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000002710CE72CA0, 16 bytes long.
Data: <ØEç q > D8 45 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002710CE72890, 16 bytes long.
Data: <°Eç q > B0 45 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002710CE72FC0, 16 bytes long.
Data: < Eç q > 88 45 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002710CE72750, 16 bytes long.
Data: <`Eç q > 60 45 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002710CE72BB0, 16 bytes long.
Data: <8Eç q > 38 45 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002710CE72660, 16 bytes long.
Data: < Eç q > 10 45 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002710CE730B0, 16 bytes long.
Data: < Íæ q > 90 CD E6 0C 71 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002710CE6CD90, 40 bytes long.
Data: <°0ç q éŠ q > B0 30 E7 0C 71 02 00 00 10 E9 8A 0E 71 02 00 00
{254} normal block at 0x000002710CE725C0, 16 bytes long.
Data: <ðDç q > F0 44 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002710CE731F0, 16 bytes long.
Data: <ÈDç q > C8 44 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002710CE6E1B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000002710CE731A0, 16 bytes long.
Data: < Dç q > A0 44 E7 0C 71 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002710CE744A0, 992 bytes long.
Data: < 1ç q °áæ q > A0 31 E7 0C 71 02 00 00 B0 E1 E6 0C 71 02 00 00
{86} normal block at 0x000002710CE6DC10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000002710CE67D80, 16 bytes long.
Data: < Íæ q > 20 CD E6 0C 71 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002710CE6CD20, 40 bytes long.
Data: < }æ q Üæ q > 80 7D E6 0C 71 02 00 00 10 DC E6 0C 71 02 00 00
{63} normal block at 0x000002710CE68140, 16 bytes long.
Data: < ê‰ï÷ > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002710CE67F60, 16 bytes long.
Data: <@é‰ï÷ > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002710CE68820, 16 bytes long.
Data: <øW†ï÷ > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002710CE682D0, 16 bytes long.
Data: <ØW†ï÷ > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002710CE68230, 16 bytes long.
Data: <P †ï÷ > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002710CE68730, 16 bytes long.
Data: <0 †ï÷ > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002710CE67C90, 16 bytes long.
Data: <à †ï÷ > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002710CE686E0, 16 bytes long.
Data: < †ï÷ > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002710CE680F0, 16 bytes long.
Data: <p †ï÷ > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002710CE67DD0, 16 bytes long.
Data: < À„ï÷ > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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