Task 38671844
| Name | test_944-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6254_0 |
| Workunit | 31614029 |
| Created | 25 Oct 2026, 21:44:30 UTC |
| Sent | 25 Oct 2026, 21:44:35 UTC |
| Report deadline | 30 Oct 2026, 21:44:35 UTC |
| Received | 25 Oct 2026, 23:37:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654147 |
| Run time | 35 min 2 sec |
| CPU time | 31 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,069.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 668.40 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.62 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:00:57 (7272): wrapper (7.9.26016): starting
00:00:57 (7272): 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
00:00:59 (7272): Library/usr/bin/tar.exe exited; CPU time 1.437500
00:00:59 (7272): 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\4\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\4\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
00:34:43 (7272): C:/Windows/system32/cmd.exe exited; CPU time 1904.359375
00:34:43 (7272): 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: 33018023 bytes.
Dumping objects ->
{3835197} normal block at 0x0000022843BEC6C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x0000022843BECC70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x0000022843B94630, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835164} normal block at 0x0000022843B94B70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x0000022843B94B00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835122} normal block at 0x0000022845867080, 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) : {3835109} normal block at 0x0000022843B8F4D0, 8 bytes long.
Data: < øC( > 00 00 F8 43 28 02 00 00
{3833959} normal block at 0x0000022843B902E0, 8 bytes long.
Data: < dŒE( > 20 64 8C 45 28 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000022843B8EB00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022843B85EB0, 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 0x0000022843B95140, 16 bytes long.
Data: <Øc¹C( > D8 63 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022843B95A50, 16 bytes long.
Data: <°c¹C( > B0 63 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022843B90E40, 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 0x0000022843B95870, 16 bytes long.
Data: < c¹C( > 88 63 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022843B955F0, 16 bytes long.
Data: <`c¹C( > 60 63 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022843B95460, 16 bytes long.
Data: <8c¹C( > 38 63 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022843B95370, 16 bytes long.
Data: < c¹C( > 10 63 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022843B94710, 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 0x0000022843B95D70, 16 bytes long.
Data: < ¸C( > 88 8D B8 43 28 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022843B911A0, 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 0x0000022843B95F50, 16 bytes long.
Data: <` ¸C( > 60 8D B8 43 28 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022843B95190, 16 bytes long.
Data: <8 ¸C( > 38 8D B8 43 28 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022843B951E0, 16 bytes long.
Data: < ¸C( > 10 8D B8 43 28 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022843B953C0, 16 bytes long.
Data: <茸C( > E8 8C B8 43 28 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022843B955A0, 16 bytes long.
Data: <ÀŒ¸C( > C0 8C B8 43 28 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022843B95640, 16 bytes long.
Data: < Œ¸C( > 98 8C B8 43 28 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022843B91020, 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 0x0000022843B95F00, 16 bytes long.
Data: <pŒ¸C( > 70 8C B8 43 28 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022843B88C70, 320 bytes long.
Data: < _¹C( ¹C( > 00 5F B9 43 28 02 00 00 20 10 B9 43 28 02 00 00
{275} normal block at 0x0000022843B95730, 16 bytes long.
Data: <ðb¹C( > F0 62 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022843B956E0, 16 bytes long.
Data: <Èb¹C( > C8 62 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022843B90C60, 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 0x0000022843B95320, 16 bytes long.
Data: < b¹C( > A0 62 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022843B90F00, 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 0x0000022843B95BE0, 16 bytes long.
Data: <èa¹C( > E8 61 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022843B95280, 16 bytes long.
Data: <Àa¹C( > C0 61 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022843B95FA0, 16 bytes long.
Data: < a¹C( > 98 61 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022843B95B40, 16 bytes long.
Data: <pa¹C( > 70 61 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022843B95FF0, 16 bytes long.
Data: <Ha¹C( > 48 61 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022843B95EB0, 16 bytes long.
Data: < a¹C( > 20 61 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022843B95690, 16 bytes long.
Data: < J¹C( > 20 4A B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022843B94A20, 40 bytes long.
Data: < V¹C( p†E( > 90 56 B9 43 28 02 00 00 80 70 86 45 28 02 00 00
{261} normal block at 0x0000022843B95960, 16 bytes long.
Data: < a¹C( > 00 61 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022843B95550, 16 bytes long.
Data: <Ø`¹C( > D8 60 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022843B90900, 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 0x0000022843B95C80, 16 bytes long.
Data: <°`¹C( > B0 60 B9 43 28 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000022843B960B0, 992 bytes long.
Data: < \¹C( ¹C( > 80 5C B9 43 28 02 00 00 00 09 B9 43 28 02 00 00
{93} normal block at 0x0000022843B90DE0, 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 0x0000022843B8FD40, 16 bytes long.
Data: <àä·C( > E0 E4 B7 43 28 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000022843B7E4E0, 40 bytes long.
Data: <@ý¸C( à ¹C( > 40 FD B8 43 28 02 00 00 E0 0D B9 43 28 02 00 00
{70} normal block at 0x0000022843B8F5C0, 16 bytes long.
Data: < êÆb÷ > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022843B8FCA0, 16 bytes long.
Data: <@éÆb÷ > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022843B8F890, 16 bytes long.
Data: <øWÃb÷ > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022843B901F0, 16 bytes long.
Data: <ØWÃb÷ > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022843B8F840, 16 bytes long.
Data: <P Ãb÷ > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022843B8FDE0, 16 bytes long.
Data: <0 Ãb÷ > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022843B90150, 16 bytes long.
Data: <à Ãb÷ > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022843B90100, 16 bytes long.
Data: < Ãb÷ > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022843B8FB10, 16 bytes long.
Data: <p Ãb÷ > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022843B8F520, 16 bytes long.
Data: < ÀÁb÷ > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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