Task 38611804
| Name | JNK1_A14_A05_r0_5-QUICO_ATM_OpenFF_JNK1-3-6-RND5651_1 |
| Workunit | 31564481 |
| Created | 15 Apr 2026, 23:33:04 UTC |
| Sent | 15 Apr 2026, 23:33:07 UTC |
| Report deadline | 20 Apr 2026, 23:33:07 UTC |
| Received | 16 Apr 2026, 2:55:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638290 |
| Run time | 3 hours 20 min 35 sec |
| CPU time | 3 hours 19 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 52,232.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.70 MB |
| Peak swap size | 13.01 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:34:45 (7660): wrapper (7.9.26016): starting
19:34:45 (7660): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A05_0.pdb
QB_A14_A05_0.xml
QB_A14_A05.inpcrd
QB_A14_A05_input.yaml
QB_A14_A05.pdb
QB_A14_A05.prmtop
QB_A14_A05_sys.xml
run.bat
run.sh
19:34:46 (7660): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:34:46 (7660): 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\33\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\33\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
22:54:25 (7660): C:/Windows/system32/cmd.exe exited; CPU time 11960.906250
22:54:25 (7660): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 224713445 bytes.
Dumping objects ->
{3835266} normal block at 0x000001EA6BC54AC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x000001EA6BC54740, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x000001EA6BC546D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835233} normal block at 0x000001EA6BC54890, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001EA6BC54660, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835191} normal block at 0x000001EA6DA05040, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001EA6BCB9C90, 140 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) : {3835177} normal block at 0x000001EA6BC4D320, 8 bytes long.
Data: < lê > 00 00 11 6C EA 01 00 00
{3834559} normal block at 0x000001EA6BCBA3E0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000001EA6BC4D550, 8 bytes long.
Data: < 6¦mê > 10 36 A6 6D EA 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001EA6BC40E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EA6BC42280, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001EA6BC561A0, 16 bytes long.
Data: < gÅkê > 18 67 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EA6BC55D40, 16 bytes long.
Data: <ðfÅkê > F0 66 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EA6BC50710, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001EA6BC55F20, 16 bytes long.
Data: <ÈfÅkê > C8 66 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EA6BC56150, 16 bytes long.
Data: < fÅkê > A0 66 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EA6BC557A0, 16 bytes long.
Data: <xfÅkê > 78 66 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EA6BC55CF0, 16 bytes long.
Data: <PfÅkê > 50 66 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EA6BC54BA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001EA6BC55750, 16 bytes long.
Data: <ÈñÃkê > C8 F1 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EA6BC51070, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001EA6BC55AC0, 16 bytes long.
Data: < ñÃkê > A0 F1 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EA6BC55CA0, 16 bytes long.
Data: <xñÃkê > 78 F1 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EA6BC55700, 16 bytes long.
Data: <PñÃkê > 50 F1 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EA6BC555C0, 16 bytes long.
Data: <(ñÃkê > 28 F1 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EA6BC56330, 16 bytes long.
Data: < ñÃkê > 00 F1 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EA6BC56100, 16 bytes long.
Data: <ØðÃkê > D8 F0 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EA6BC50A10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001EA6BC55A70, 16 bytes long.
Data: <°ðÃkê > B0 F0 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EA6BC3F0B0, 320 bytes long.
Data: <pZÅkê Åkê > 70 5A C5 6B EA 01 00 00 10 0A C5 6B EA 01 00 00
{272} normal block at 0x000001EA6BC554D0, 16 bytes long.
Data: <0fÅkê > 30 66 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EA6BC55C50, 16 bytes long.
Data: < fÅkê > 08 66 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EA6BC50E30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001EA6BC560B0, 16 bytes long.
Data: <àeÅkê > E0 65 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EA6BC50CB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001EA6BC55C00, 16 bytes long.
Data: <(eÅkê > 28 65 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EA6BC556B0, 16 bytes long.
Data: < eÅkê > 00 65 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EA6BC55E30, 16 bytes long.
Data: <ØdÅkê > D8 64 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EA6BC55430, 16 bytes long.
Data: <°dÅkê > B0 64 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EA6BC561F0, 16 bytes long.
Data: < dÅkê > 88 64 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EA6BC55520, 16 bytes long.
Data: <`dÅkê > 60 64 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EA6BC56290, 16 bytes long.
Data: < IÅkê > 00 49 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EA6BC54900, 40 bytes long.
Data: < bÅkê @P mê > 90 62 C5 6B EA 01 00 00 40 50 A0 6D EA 01 00 00
{258} normal block at 0x000001EA6BC56060, 16 bytes long.
Data: <@dÅkê > 40 64 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EA6BC55B10, 16 bytes long.
Data: < dÅkê > 18 64 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EA6BC51430, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001EA6BC55660, 16 bytes long.
Data: <ðcÅkê > F0 63 C5 6B EA 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001EA6BC563F0, 992 bytes long.
Data: <`VÅkê 0 Åkê > 60 56 C5 6B EA 01 00 00 30 14 C5 6B EA 01 00 00
{90} normal block at 0x000001EA6BC508F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001EA6BC4DDC0, 16 bytes long.
Data: < ÆÃkê > 90 C6 C3 6B EA 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001EA6BC3C690, 40 bytes long.
Data: <ÀÝÄkê ð Åkê > C0 DD C4 6B EA 01 00 00 F0 08 C5 6B EA 01 00 00
{67} normal block at 0x000001EA6BC4D5F0, 16 bytes long.
Data: < êÙÕ÷ > 80 EA D9 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EA6BC4CEC0, 16 bytes long.
Data: <@éÙÕ÷ > 40 E9 D9 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EA6BC4DB40, 16 bytes long.
Data: <øWÖÕ÷ > F8 57 D6 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EA6BC4DC80, 16 bytes long.
Data: <ØWÖÕ÷ > D8 57 D6 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EA6BC4D370, 16 bytes long.
Data: <P ÖÕ÷ > 50 04 D6 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EA6BC4DAF0, 16 bytes long.
Data: <0 ÖÕ÷ > 30 04 D6 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EA6BC4D8C0, 16 bytes long.
Data: <à ÖÕ÷ > E0 02 D6 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EA6BC4D190, 16 bytes long.
Data: < ÖÕ÷ > 10 04 D6 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001EA6BC4D230, 16 bytes long.
Data: <p ÖÕ÷ > 70 04 D6 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001EA6BC4D0F0, 16 bytes long.
Data: < ÀÔÕ÷ > 18 C0 D4 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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