Task 38628902
| Name | JNK1_RE_A14_A06_r0_5-QUICO_ATM_OpenFF23_NAGL_JNK1_RE-1-6-RND3755_0 |
| Workunit | 31578474 |
| Created | 24 Apr 2026, 23:07:01 UTC |
| Sent | 24 Apr 2026, 23:07:19 UTC |
| Report deadline | 29 Apr 2026, 23:07:19 UTC |
| Received | 25 Apr 2026, 5:15:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627499 |
| Run time | 5 hours 21 min 35 sec |
| CPU time | 5 hours 21 min 35 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,187.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 652.77 MB |
| Peak swap size | 5.24 GB |
| Peak disk usage | 3.09 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:00:22 (2416): wrapper (7.9.26016): starting
02:00:22 (2416): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A06_0.pdb
QB_A14_A06_0.xml
QB_A14_A06.inpcrd
QB_A14_A06_input.yaml
QB_A14_A06.pdb
QB_A14_A06.prmtop
QB_A14_A06_sys.xml
run.bat
run.sh
02:00:23 (2416): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:00:23 (2416): 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\0\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\0\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
07:14:38 (2416): C:/Windows/system32/cmd.exe exited; CPU time 19295.953125
07:14:38 (2416): 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: 238232351 bytes.
Dumping objects ->
{3835224} normal block at 0x00000127E88CD2A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x00000127E88CCE40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x00000127E6BE4960, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835191} normal block at 0x00000127E6BE4810, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x00000127E6BE4AB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835149} normal block at 0x00000127E8917C40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835138} normal block at 0x00000127E892ED20, 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) : {3835135} normal block at 0x00000127E6BDD660, 8 bytes long.
Data: < #ç' > 00 00 23 E7 27 01 00 00
{3834537} normal block at 0x00000127E892EE80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x00000127E6BDDC50, 8 bytes long.
Data: <ÀÕ¼æ' > C0 D5 BC E6 27 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000127E6BD0FF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000127E6BD1740, 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 0x00000127E6BE5860, 16 bytes long.
Data: < f¾æ' > 98 66 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000127E6BE5FE0, 16 bytes long.
Data: <pf¾æ' > 70 66 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000127E6BE1540, 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 0x00000127E6BE6300, 16 bytes long.
Data: <Hf¾æ' > 48 66 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000127E6BE5810, 16 bytes long.
Data: < f¾æ' > 20 66 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000127E6BE5C70, 16 bytes long.
Data: <øe¾æ' > F8 65 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000127E6BE5770, 16 bytes long.
Data: <Ðe¾æ' > D0 65 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000127E6BE4EA0, 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 0x00000127E6BE5680, 16 bytes long.
Data: <x³¼æ' > 78 B3 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000127E6BE1420, 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 0x00000127E6BE6260, 16 bytes long.
Data: <P³¼æ' > 50 B3 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000127E6BE59A0, 16 bytes long.
Data: <(³¼æ' > 28 B3 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000127E6BE6030, 16 bytes long.
Data: < ³¼æ' > 00 B3 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000127E6BE5630, 16 bytes long.
Data: <ز¼æ' > D8 B2 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000127E6BE5E00, 16 bytes long.
Data: <°²¼æ' > B0 B2 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000127E6BE5A40, 16 bytes long.
Data: < ²¼æ' > 88 B2 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000127E6BE1660, 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 0x00000127E6BE5D10, 16 bytes long.
Data: <`²¼æ' > 60 B2 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000127E6BCB260, 320 bytes long.
Data: < ]¾æ' ` ¾æ' > 10 5D BE E6 27 01 00 00 60 16 BE E6 27 01 00 00
{275} normal block at 0x00000127E6BE5BD0, 16 bytes long.
Data: <°e¾æ' > B0 65 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000127E6BE5EA0, 16 bytes long.
Data: < e¾æ' > 88 65 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000127E6BE0DC0, 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 0x00000127E6BE54F0, 16 bytes long.
Data: <`e¾æ' > 60 65 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000127E6BE0D00, 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 0x00000127E6BE55E0, 16 bytes long.
Data: <¨d¾æ' > A8 64 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000127E6BE62B0, 16 bytes long.
Data: < d¾æ' > 80 64 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000127E6BE5950, 16 bytes long.
Data: <Xd¾æ' > 58 64 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000127E6BE57C0, 16 bytes long.
Data: <0d¾æ' > 30 64 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000127E6BE5540, 16 bytes long.
Data: < d¾æ' > 08 64 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000127E6BE56D0, 16 bytes long.
Data: <àc¾æ' > E0 63 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000127E6BE54A0, 16 bytes long.
Data: <PM¾æ' > 50 4D BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000127E6BE4D50, 40 bytes long.
Data: < T¾æ' @|‘è' > A0 54 BE E6 27 01 00 00 40 7C 91 E8 27 01 00 00
{261} normal block at 0x00000127E6BE5900, 16 bytes long.
Data: <Àc¾æ' > C0 63 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000127E6BE58B0, 16 bytes long.
Data: < c¾æ' > 98 63 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000127E6BE1720, 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 0x00000127E6BE5B80, 16 bytes long.
Data: <pc¾æ' > 70 63 BE E6 27 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000127E6BE6370, 992 bytes long.
Data: < [¾æ' ¾æ' > 80 5B BE E6 27 01 00 00 20 17 BE E6 27 01 00 00
{93} normal block at 0x00000127E6BE15A0, 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 0x00000127E6BDD070, 16 bytes long.
Data: <0żæ' > 30 C5 BC E6 27 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000127E6BCC530, 40 bytes long.
Data: <pнæ'   ¾æ' > 70 D0 BD E6 27 01 00 00 A0 15 BE E6 27 01 00 00
{70} normal block at 0x00000127E6BDD980, 16 bytes long.
Data: < ê×ó÷ > 80 EA D7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000127E6BDCFD0, 16 bytes long.
Data: <@é×ó÷ > 40 E9 D7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000127E6BDDDE0, 16 bytes long.
Data: <øWÔó÷ > F8 57 D4 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000127E6BDDD40, 16 bytes long.
Data: <ØWÔó÷ > D8 57 D4 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000127E6BDD2F0, 16 bytes long.
Data: <P Ôó÷ > 50 04 D4 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000127E6BDD930, 16 bytes long.
Data: <0 Ôó÷ > 30 04 D4 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000127E6BDCF80, 16 bytes long.
Data: <à Ôó÷ > E0 02 D4 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000127E6BDDE80, 16 bytes long.
Data: < Ôó÷ > 10 04 D4 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000127E6BDD570, 16 bytes long.
Data: <p Ôó÷ > 70 04 D4 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000127E6BDD4D0, 16 bytes long.
Data: < ÀÒó÷ > 18 C0 D2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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