Task 38670655
| Name | test_304-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4977_1 |
| Workunit | 31612674 |
| Created | 25 Oct 2026, 18:11:38 UTC |
| Sent | 25 Oct 2026, 18:11:48 UTC |
| Report deadline | 30 Oct 2026, 18:11:48 UTC |
| Received | 25 Oct 2026, 20:40:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 583658 |
| Run time | 55 min 31 sec |
| CPU time | 53 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,419.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 666.40 MB |
| Peak swap size | 3.71 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:46:31 (49364): wrapper (7.9.26016): starting
15:46:31 (49364): 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
15:46:33 (49364): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:46:33 (49364): 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\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 'C:\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:40:17 (49364): C:/Windows/system32/cmd.exe exited; CPU time 3202.593750
16:40:17 (49364): 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: 73204031 bytes.
Dumping objects ->
{3835315} normal block at 0x000001E6178D08B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835304} normal block at 0x000001E6178D0920, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835293} normal block at 0x000001E6178D0840, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835282} normal block at 0x000001E6178D1640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835271} normal block at 0x000001E6178D12C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835240} normal block at 0x000001E61797BDB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001E6179DDCD0, 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) : {3835226} normal block at 0x000001E615EC7080, 8 bytes long.
Data: < é æ > 00 00 E9 15 E6 01 00 00
{3834574} normal block at 0x000001E6179DD070, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x000001E615EC6E00, 8 bytes long.
Data: <pÇ æ > 70 C7 8D 17 E6 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001E615ED11B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E615ED20F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001E615ED2DD0, 16 bytes long.
Data: <Ø8í æ > D8 38 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E615ED2AB0, 16 bytes long.
Data: <°8í æ > B0 38 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E615ECCA60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001E615ED2A60, 16 bytes long.
Data: < 8í æ > 88 38 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E615ED2EC0, 16 bytes long.
Data: <`8í æ > 60 38 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E615ED2510, 16 bytes long.
Data: <88í æ > 38 38 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E615ED24C0, 16 bytes long.
Data: < 8í æ > 10 38 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E615ECB960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001E615ED2BF0, 16 bytes long.
Data: < í æ > 88 20 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E615ECD000, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001E615ED2BA0, 16 bytes long.
Data: <` í æ > 60 20 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E615ED2C90, 16 bytes long.
Data: <8 í æ > 38 20 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E615ED2380, 16 bytes long.
Data: < í æ > 10 20 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E615ED3050, 16 bytes long.
Data: <è í æ > E8 1F ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E615ED2970, 16 bytes long.
Data: <À í æ > C0 1F ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E615ED2D30, 16 bytes long.
Data: < í æ > 98 1F ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E615ECCEE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001E615ED27E0, 16 bytes long.
Data: <p í æ > 70 1F ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E615ED1F70, 320 bytes long.
Data: <à'í æ àÎì æ > E0 27 ED 15 E6 01 00 00 E0 CE EC 15 E6 01 00 00
{271} normal block at 0x000001E615ED2D80, 16 bytes long.
Data: <ð7í æ > F0 37 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E615ED2330, 16 bytes long.
Data: <È7í æ > C8 37 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E615ECCE80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001E615ED25B0, 16 bytes long.
Data: < 7í æ > A0 37 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E615ECD600, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001E615ED30A0, 16 bytes long.
Data: <è6í æ > E8 36 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E615ED2920, 16 bytes long.
Data: <À6í æ > C0 36 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E615ED2CE0, 16 bytes long.
Data: < 6í æ > 98 36 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E615ED2740, 16 bytes long.
Data: <p6í æ > 70 36 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E615ED2E70, 16 bytes long.
Data: <H6í æ > 48 36 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E615ED2B50, 16 bytes long.
Data: < 6í æ > 20 36 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E615ED29C0, 16 bytes long.
Data: <P¶ì æ > 50 B6 EC 15 E6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E615ECB650, 40 bytes long.
Data: <À)í æ °½— æ > C0 29 ED 15 E6 01 00 00 B0 BD 97 17 E6 01 00 00
{257} normal block at 0x000001E615ED2420, 16 bytes long.
Data: < 6í æ > 00 36 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E615ED26F0, 16 bytes long.
Data: <Ø5í æ > D8 35 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001E615ECCCA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001E615ED26A0, 16 bytes long.
Data: <°5í æ > B0 35 ED 15 E6 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001E615ED35B0, 992 bytes long.
Data: < &í æ  Ìì æ > A0 26 ED 15 E6 01 00 00 A0 CC EC 15 E6 01 00 00
{89} normal block at 0x000001E615ECCB20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001E615EC6DB0, 16 bytes long.
Data: <àµì æ > E0 B5 EC 15 E6 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001E615ECB5E0, 40 bytes long.
Data: <°mì æ Ëì æ > B0 6D EC 15 E6 01 00 00 20 CB EC 15 E6 01 00 00
{66} normal block at 0x000001E615EC6590, 16 bytes long.
Data: < ê wö > 80 EA 0F 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E615EC73F0, 16 bytes long.
Data: <@é wö > 40 E9 0F 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E615EC6B80, 16 bytes long.
Data: <øW wö > F8 57 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E615EC6C70, 16 bytes long.
Data: <ØW wö > D8 57 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E615EC67C0, 16 bytes long.
Data: <P wö > 50 04 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E615EC6FE0, 16 bytes long.
Data: <0 wö > 30 04 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E615EC6D10, 16 bytes long.
Data: <à wö > E0 02 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E615EC70D0, 16 bytes long.
Data: < wö > 10 04 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E615EC6E50, 16 bytes long.
Data: <p wö > 70 04 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E615EC6720, 16 bytes long.
Data: < À wö > 18 C0 0A 77 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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