Task 38610348
| Name | JNK1_A18_A12_r0_2-QUICO_ATM_OpenFF_JNK1-1-6-RND7733_2 |
| Workunit | 31561273 |
| Created | 15 Apr 2026, 9:00:54 UTC |
| Sent | 15 Apr 2026, 9:00:57 UTC |
| Report deadline | 20 Apr 2026, 9:00:57 UTC |
| Received | 16 Apr 2026, 6:29:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644191 |
| Run time | 6 hours 40 min 18 sec |
| CPU time | 6 hours 37 min 37 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,721.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.30 MB |
| Peak swap size | 3.73 GB |
| Peak disk usage | 4.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
01:50:12 (3280): wrapper (7.9.26016): starting
01:50:12 (3280): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A12_0.pdb
QB_A18_A12_0.xml
QB_A18_A12.inpcrd
QB_A18_A12_input.yaml
QB_A18_A12.pdb
QB_A18_A12.prmtop
QB_A18_A12_sys.xml
run.bat
run.sh
01:50:13 (3280): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:50:13 (3280): 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\3\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\3\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
08:29:35 (3280): C:/Windows/system32/cmd.exe exited; CPU time 23857.843750
08:29:35 (3280): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 311303835 bytes.
Dumping objects ->
{3835298} normal block at 0x000001D98BCF5290, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000001D98BCF5220, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835276} normal block at 0x000001D98BCF53E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835265} normal block at 0x000001D98BCF5610, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000001D98BCF5920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835223} normal block at 0x000001D98DA3A070, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x000001D98DA94C70, 235 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) : {3835209} normal block at 0x000001D98BCEDC60, 8 bytes long.
Data: < ŒÙ > 00 00 17 8C D9 01 00 00
{3834587} normal block at 0x000001D98BCF50A0, 235 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 0x000001D98BCEE250, 8 bytes long.
Data: < ÛÍ‹Ù > 20 DB CD 8B D9 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D98BCE1050, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D98BCE1CA0, 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 0x000001D98BCF66A0, 16 bytes long.
Data: < qϋ٠> 18 71 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D98BCF5E30, 16 bytes long.
Data: <ðpÏ‹Ù > F0 70 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D98BCEF8D0, 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 0x000001D98BCF6740, 16 bytes long.
Data: <ÈpÏ‹Ù > C8 70 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D98BCF6600, 16 bytes long.
Data: < pÏ‹Ù > A0 70 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D98BCF6BF0, 16 bytes long.
Data: <xpϋ٠> 78 70 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D98BCF66F0, 16 bytes long.
Data: <Ppϋ٠> 50 70 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D98BCF5450, 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 0x000001D98BCF5F70, 16 bytes long.
Data: <x-΋٠> 78 2D CE 8B D9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D98BCF0470, 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 0x000001D98BCF6C40, 16 bytes long.
Data: <P-΋٠> 50 2D CE 8B D9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D98BCF65B0, 16 bytes long.
Data: <(-΋٠> 28 2D CE 8B D9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D98BCF6420, 16 bytes long.
Data: < -΋٠> 00 2D CE 8B D9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D98BCF67E0, 16 bytes long.
Data: <Ø,΋٠> D8 2C CE 8B D9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D98BCF6A10, 16 bytes long.
Data: <°,΋٠> B0 2C CE 8B D9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D98BCF6380, 16 bytes long.
Data: < ,΋٠> 88 2C CE 8B D9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D98BCEF870, 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 0x000001D98BCF61A0, 16 bytes long.
Data: <`,΋٠> 60 2C CE 8B D9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D98BCE2C60, 320 bytes long.
Data: < aÏ‹Ù pø΋٠> A0 61 CF 8B D9 01 00 00 70 F8 CE 8B D9 01 00 00
{275} normal block at 0x000001D98BCF6240, 16 bytes long.
Data: <0pϋ٠> 30 70 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D98BCF6560, 16 bytes long.
Data: < pϋ٠> 08 70 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D98BCF0770, 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 0x000001D98BCF61F0, 16 bytes long.
Data: <àoÏ‹Ù > E0 6F CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D98BCF0410, 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 0x000001D98BCF6650, 16 bytes long.
Data: <(oϋ٠> 28 6F CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D98BCF5F20, 16 bytes long.
Data: < oϋ٠> 00 6F CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D98BCF6330, 16 bytes long.
Data: <ØnÏ‹Ù > D8 6E CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D98BCF6010, 16 bytes long.
Data: <°nÏ‹Ù > B0 6E CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D98BCF6510, 16 bytes long.
Data: < nϋ٠> 88 6E CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D98BCF5ED0, 16 bytes long.
Data: <`nϋ٠> 60 6E CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D98BCF6100, 16 bytes long.
Data: < VÏ‹Ù > 80 56 CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D98BCF5680, 40 bytes long.
Data: < aÏ‹Ù p £ Ù > 00 61 CF 8B D9 01 00 00 70 A0 A3 8D D9 01 00 00
{261} normal block at 0x000001D98BCF62E0, 16 bytes long.
Data: <@nϋ٠> 40 6E CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D98BCF60B0, 16 bytes long.
Data: < nϋ٠> 18 6E CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D98BCF01D0, 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 0x000001D98BCF6830, 16 bytes long.
Data: <ðmÏ‹Ù > F0 6D CF 8B D9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D98BCF6DF0, 992 bytes long.
Data: <0hϋ٠Рϋ٠> 30 68 CF 8B D9 01 00 00 D0 01 CF 8B D9 01 00 00
{93} normal block at 0x000001D98BCF02F0, 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 0x000001D98BCED7B0, 16 bytes long.
Data: < èÍ‹Ù > A0 E8 CD 8B D9 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001D98BCDE8A0, 40 bytes long.
Data: <°×΋٠ð Ï‹Ù > B0 D7 CE 8B D9 01 00 00 F0 02 CF 8B D9 01 00 00
{70} normal block at 0x000001D98BCEDE40, 16 bytes long.
Data: < ê©·÷ > 80 EA A9 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D98BCEDA80, 16 bytes long.
Data: <@é©·÷ > 40 E9 A9 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D98BCED670, 16 bytes long.
Data: <øW¦·÷ > F8 57 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D98BCEDE90, 16 bytes long.
Data: <ØW¦·÷ > D8 57 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D98BCEE390, 16 bytes long.
Data: <P ¦·÷ > 50 04 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D98BCEE340, 16 bytes long.
Data: <0 ¦·÷ > 30 04 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D98BCED850, 16 bytes long.
Data: <à ¦·÷ > E0 02 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D98BCEDA30, 16 bytes long.
Data: < ¦·÷ > 10 04 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D98BCEDEE0, 16 bytes long.
Data: <p ¦·÷ > 70 04 A6 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D98BCEE160, 16 bytes long.
Data: < À¤·÷ > 18 C0 A4 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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