Task 38658390
| Name | test_901-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4055_0 |
| Workunit | 31601976 |
| Created | 24 Oct 2026, 12:37:29 UTC |
| Sent | 24 Oct 2026, 13:27:14 UTC |
| Report deadline | 29 Oct 2026, 13:27:14 UTC |
| Received | 26 Oct 2026, 8:40:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652296 |
| Run time | 1 hours 31 min 33 sec |
| CPU time | 1 hours 23 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,564.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.61 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:09:12 (27520): wrapper (7.9.26016): starting
10:09:12 (27520): 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
10:09:17 (27520): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:09:17 (27520): 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\9\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\9\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
11:38:59 (27520): C:/Windows/system32/cmd.exe exited; CPU time 4983.125000
11:38:59 (27520): 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: 106697583 bytes.
Dumping objects ->
{3835534} normal block at 0x000001E7F1E7CB10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835523} normal block at 0x000001E7F1E7CAA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835512} normal block at 0x000001E7F1E7C250, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835501} normal block at 0x000001E7F1E7C870, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x000001E7F1E7C480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835459} normal block at 0x000001E7F3B27B00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835448} normal block at 0x000001E7F3B41320, 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) : {3835445} normal block at 0x000001E7F1E4E700, 8 bytes long.
Data: < Þñç > 00 00 DE F1 E7 01 00 00
{3834702} normal block at 0x000001E7F3B41CC0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833973} normal block at 0x000001E7F1E4E9D0, 8 bytes long.
Data: < r»óç > 20 72 BB F3 E7 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001E7F1E53B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001E7F1E46D90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001E7F1E59AE0, 16 bytes long.
Data: <Øÿäñç > D8 FF E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001E7F1E58E10, 16 bytes long.
Data: <°ÿäñç > B0 FF E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001E7F1E51340, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001E7F1E599A0, 16 bytes long.
Data: < ÿäñç > 88 FF E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E7F1E58DC0, 16 bytes long.
Data: <`ÿäñç > 60 FF E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E7F1E59B30, 16 bytes long.
Data: <8ÿäñç > 38 FF E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E7F1E595E0, 16 bytes long.
Data: < ÿäñç > 10 FF E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E7F1E52130, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001E7F1E59040, 16 bytes long.
Data: <ø½ãñç > F8 BD E3 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E7F1E506E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001E7F1E59220, 16 bytes long.
Data: <нãñç > D0 BD E3 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E7F1E59590, 16 bytes long.
Data: <¨½ãñç > A8 BD E3 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E7F1E58D70, 16 bytes long.
Data: < ½ãñç > 80 BD E3 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E7F1E59540, 16 bytes long.
Data: <X½ãñç > 58 BD E3 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E7F1E58D20, 16 bytes long.
Data: <0½ãñç > 30 BD E3 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E7F1E591D0, 16 bytes long.
Data: < ½ãñç > 08 BD E3 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E7F1E512E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001E7F1E58E60, 16 bytes long.
Data: <à¼ãñç > E0 BC E3 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E7F1E3BCE0, 320 bytes long.
Data: <`Žåñç à åñç > 60 8E E5 F1 E7 01 00 00 E0 12 E5 F1 E7 01 00 00
{282} normal block at 0x000001E7F1E59400, 16 bytes long.
Data: <ðþäñç > F0 FE E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E7F1E59B80, 16 bytes long.
Data: <Èþäñç > C8 FE E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E7F1E51280, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001E7F1E58F50, 16 bytes long.
Data: < þäñç > A0 FE E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E7F1E50BC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001E7F1E58CD0, 16 bytes long.
Data: <èýäñç > E8 FD E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E7F1E594F0, 16 bytes long.
Data: <Àýäñç > C0 FD E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E7F1E597C0, 16 bytes long.
Data: < ýäñç > 98 FD E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E7F1E59090, 16 bytes long.
Data: <pýäñç > 70 FD E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E7F1E58C80, 16 bytes long.
Data: <Hýäñç > 48 FD E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E7F1E59770, 16 bytes long.
Data: < ýäñç > 20 FD E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E7F1E58F00, 16 bytes long.
Data: < åñç > 90 1E E5 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E7F1E51E90, 40 bytes long.
Data: < åñç {²óç > 00 8F E5 F1 E7 01 00 00 00 7B B2 F3 E7 01 00 00
{268} normal block at 0x000001E7F1E59950, 16 bytes long.
Data: < ýäñç > 00 FD E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E7F1E599F0, 16 bytes long.
Data: <Øüäñç > D8 FC E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E7F1E51220, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001E7F1E594A0, 16 bytes long.
Data: <°üäñç > B0 FC E4 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E7F1E4FCB0, 992 bytes long.
Data: < ”åñç åñç > A0 94 E5 F1 E7 01 00 00 20 12 E5 F1 E7 01 00 00
{100} normal block at 0x000001E7F1E513A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001E7F1E4E520, 16 bytes long.
Data: <P åñç > 50 20 E5 F1 E7 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001E7F1E52050, 40 bytes long.
Data: < åäñç   åñç > 20 E5 E4 F1 E7 01 00 00 A0 13 E5 F1 E7 01 00 00
{77} normal block at 0x000001E7F1E4EE30, 16 bytes long.
Data: < ê?p÷ > 80 EA 3F 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001E7F1E4E660, 16 bytes long.
Data: <@é?p÷ > 40 E9 3F 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001E7F1E4EE80, 16 bytes long.
Data: <øW<p÷ > F8 57 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001E7F1E4EC00, 16 bytes long.
Data: <ØW<p÷ > D8 57 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E7F1E4F010, 16 bytes long.
Data: <P <p÷ > 50 04 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E7F1E4E390, 16 bytes long.
Data: <0 <p÷ > 30 04 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E7F1E4ED40, 16 bytes long.
Data: <à <p÷ > E0 02 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E7F1E4E340, 16 bytes long.
Data: < <p÷ > 10 04 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E7F1E4F150, 16 bytes long.
Data: <p <p÷ > 70 04 3C 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E7F1E4EBB0, 16 bytes long.
Data: < À:p÷ > 18 C0 3A 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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