Task 38670482
| Name | test_494-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND5420_1 |
| Workunit | 31612136 |
| Created | 25 Oct 2026, 17:40:00 UTC |
| Sent | 25 Oct 2026, 17:40:04 UTC |
| Report deadline | 30 Oct 2026, 17:40:04 UTC |
| Received | 25 Oct 2026, 20:47:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631341 |
| Run time | 30 min 52 sec |
| CPU time | 29 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,149.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.05 MB |
| Peak swap size | 14.45 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:17:23 (27836): wrapper (7.9.26016): starting
21:17:23 (27836): 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
21:17:25 (27836): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:17:25 (27836): 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_GPUGRID\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_GPUGRID\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
21:46:42 (27836): C:/Windows/system32/cmd.exe exited; CPU time 1772.937500
21:46:42 (27836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 26546755 bytes.
Dumping objects ->
{3835309} normal block at 0x000001C9D7D993C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000001C9D5DB5380, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000001C9D5DB5070, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000001C9D5DB50E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001C9D5DB55B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000001C9D7D98AC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001C9D7DF6760, 180 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) : {3835220} normal block at 0x000001C9D5DADFD0, 8 bytes long.
Data: < ×ÕÉ > 00 00 D7 D5 C9 01 00 00
{3834594} normal block at 0x000001C9D7DF71B0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001C9D5DAE3E0, 8 bytes long.
Data: <@ªÝÕÉ > 40 AA DD D5 C9 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C9D5DB2030, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C9D5DA6AD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001C9D5DB6180, 16 bytes long.
Data: <hoÛÕÉ > 68 6F DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C9D5DB5DC0, 16 bytes long.
Data: <@oÛÕÉ > 40 6F DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C9D5DB0000, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001C9D5DB68B0, 16 bytes long.
Data: < oÛÕÉ > 18 6F DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C9D5DB6450, 16 bytes long.
Data: <ðnÛÕÉ > F0 6E DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C9D5DB5E10, 16 bytes long.
Data: <ÈnÛÕÉ > C8 6E DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C9D5DB6BD0, 16 bytes long.
Data: < nÛÕÉ > A0 6E DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C9D5DB52A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001C9D5DB64A0, 16 bytes long.
Data: <(÷ÙÕÉ > 28 F7 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C9D5DAFFA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001C9D5DB5D20, 16 bytes long.
Data: < ÷ÙÕÉ > 00 F7 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C9D5DB6540, 16 bytes long.
Data: <ØöÙÕÉ > D8 F6 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C9D5DB64F0, 16 bytes long.
Data: <°öÙÕÉ > B0 F6 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C9D5DB6950, 16 bytes long.
Data: < öÙÕÉ > 88 F6 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C9D5DB6860, 16 bytes long.
Data: <`öÙÕÉ > 60 F6 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C9D5DB5FF0, 16 bytes long.
Data: <8öÙÕÉ > 38 F6 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C9D5DAF820, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{278} normal block at 0x000001C9D5DB6810, 16 bytes long.
Data: < öÙÕÉ > 10 F6 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C9D5D9F610, 320 bytes long.
Data: < hÛÕÉ øÚÕÉ > 10 68 DB D5 C9 01 00 00 20 F8 DA D5 C9 01 00 00
{276} normal block at 0x000001C9D5DB66D0, 16 bytes long.
Data: < nÛÕÉ > 80 6E DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C9D5DB6B30, 16 bytes long.
Data: <XnÛÕÉ > 58 6E DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C9D5DAF640, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001C9D5DB6680, 16 bytes long.
Data: <0nÛÕÉ > 30 6E DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C9D5DAF8E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001C9D5DB5CD0, 16 bytes long.
Data: <xmÛÕÉ > 78 6D DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C9D5DB5C80, 16 bytes long.
Data: <PmÛÕÉ > 50 6D DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C9D5DB6720, 16 bytes long.
Data: <(mÛÕÉ > 28 6D DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C9D5DB6400, 16 bytes long.
Data: < mÛÕÉ > 00 6D DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C9D5DB6770, 16 bytes long.
Data: <ØlÛÕÉ > D8 6C DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C9D5DB6A90, 16 bytes long.
Data: <°lÛÕÉ > B0 6C DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C9D5DB6360, 16 bytes long.
Data: <ÀQÛÕÉ > C0 51 DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C9D5DB51C0, 40 bytes long.
Data: <`cÛÕÉ ÀŠÙ×É > 60 63 DB D5 C9 01 00 00 C0 8A D9 D7 C9 01 00 00
{262} normal block at 0x000001C9D5DB60E0, 16 bytes long.
Data: < lÛÕÉ > 90 6C DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C9D5DB6630, 16 bytes long.
Data: <hlÛÕÉ > 68 6C DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C9D5DB0300, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001C9D5DB65E0, 16 bytes long.
Data: <@lÛÕÉ > 40 6C DB D5 C9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C9D5DB6C40, 992 bytes long.
Data: <àeÛÕÉ ÛÕÉ > E0 65 DB D5 C9 01 00 00 00 03 DB D5 C9 01 00 00
{94} normal block at 0x000001C9D5DAFEE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001C9D5DADDF0, 16 bytes long.
Data: < òÙÕÉ > A0 F2 D9 D5 C9 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C9D5D9F2A0, 40 bytes long.
Data: <ðÝÚÕÉ àþÚÕÉ > F0 DD DA D5 C9 01 00 00 E0 FE DA D5 C9 01 00 00
{71} normal block at 0x000001C9D5DAD8A0, 16 bytes long.
Data: < êu4ö > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C9D5DAE2F0, 16 bytes long.
Data: <@éu4ö > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C9D5DAD760, 16 bytes long.
Data: <øWr4ö > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C9D5DAD9E0, 16 bytes long.
Data: <ØWr4ö > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C9D5DADB70, 16 bytes long.
Data: <P r4ö > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C9D5DADDA0, 16 bytes long.
Data: <0 r4ö > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C9D5DAD990, 16 bytes long.
Data: <à r4ö > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C9D5DADE90, 16 bytes long.
Data: < r4ö > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C9D5DADD00, 16 bytes long.
Data: <p r4ö > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C9D5DAE390, 16 bytes long.
Data: < Àp4ö > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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