Task 38612780
| Name | JNK1_A10_A16_r0_5-QUICO_ATM_OpenFF_JNK1-3-6-RND1619_0 |
| Workunit | 31565353 |
| Created | 16 Apr 2026, 11:41:05 UTC |
| Sent | 16 Apr 2026, 11:41:12 UTC |
| Report deadline | 21 Apr 2026, 11:41:12 UTC |
| Received | 16 Apr 2026, 21:17:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 606440 |
| Run time | 9 hours 17 min 42 sec |
| CPU time | 8 hours 39 min 16 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 6,468.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 622.17 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
04:50:18 (15720): wrapper (7.9.26016): starting
04:50:18 (15720): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A16_0.pdb
QB_A10_A16_0.xml
QB_A10_A16.inpcrd
QB_A10_A16_input.yaml
QB_A10_A16.pdb
QB_A10_A16.prmtop
QB_A10_A16_sys.xml
run.bat
run.sh
04:50:21 (15720): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:50:21 (15720): 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 'G:\ProgramData1\BOINC\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 'G:\ProgramData1\BOINC\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
14:16:11 (15720): C:/Windows/system32/cmd.exe exited; CPU time 31156.875000
14:16:11 (15720): 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: 458533555 bytes.
Dumping objects ->
{3835219} normal block at 0x00000281B9C16060, 48 bytes long.
Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x00000281B9C16450, 48 bytes long.
Data: <HOME=G:\ProgramD> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x00000281B9C16220, 48 bytes long.
Data: <TMP=G:\ProgramDa> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x00000281B9C16610, 48 bytes long.
Data: <TEMP=G:\ProgramD> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x00000281B9C16140, 48 bytes long.
Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x00000281BB845630, 64 bytes long.
Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x00000281B9C5EBB0, 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) : {3835130} normal block at 0x00000281B9C0DAC0, 8 bytes long.
Data: < º > 00 00 1D BA 81 02 00 00
{3834526} normal block at 0x00000281B9C5F710, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833941} normal block at 0x00000281B9C0D6B0, 8 bytes long.
Data: < Õ¿¹ > 00 D5 BF B9 81 02 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000281B9C011B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000281B9C021C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x00000281B9C14C30, 16 bytes long.
Data: <È]Á¹ > C8 5D C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000281B9C15130, 16 bytes long.
Data: < ]Á¹ > A0 5D C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000281B9C10A60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x00000281B9C148C0, 16 bytes long.
Data: <x]Á¹ > 78 5D C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000281B9C14C80, 16 bytes long.
Data: <P]Á¹ > 50 5D C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000281B9C155E0, 16 bytes long.
Data: <(]Á¹ > 28 5D C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000281B9C14A00, 16 bytes long.
Data: < ]Á¹ > 00 5D C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000281B9C16370, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x00000281B9C14E10, 16 bytes long.
Data: <8 À¹ > 38 05 C0 B9 81 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000281B9C10520, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x00000281B9C14870, 16 bytes long.
Data: < À¹ > 10 05 C0 B9 81 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000281B9C14AA0, 16 bytes long.
Data: <è À¹ > E8 04 C0 B9 81 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000281B9C14820, 16 bytes long.
Data: <À À¹ > C0 04 C0 B9 81 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000281B9C14D20, 16 bytes long.
Data: < À¹ > 98 04 C0 B9 81 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000281B9C15450, 16 bytes long.
Data: <p À¹ > 70 04 C0 B9 81 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000281B9C14A50, 16 bytes long.
Data: <H À¹ > 48 04 C0 B9 81 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000281B9C106A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x00000281B9C146E0, 16 bytes long.
Data: < À¹ > 20 04 C0 B9 81 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000281B9C00420, 320 bytes long.
Data: <àFÁ¹   Á¹ > E0 46 C1 B9 81 02 00 00 A0 06 C1 B9 81 02 00 00
{266} normal block at 0x00000281B9C150E0, 16 bytes long.
Data: <à\Á¹ > E0 5C C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000281B9C153B0, 16 bytes long.
Data: <¸\Á¹ > B8 5C C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000281B9C11060, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x00000281B9C14F00, 16 bytes long.
Data: < \Á¹ > 90 5C C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000281B9C109A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x00000281B9C15630, 16 bytes long.
Data: <Ø[Á¹ > D8 5B C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000281B9C147D0, 16 bytes long.
Data: <°[Á¹ > B0 5B C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000281B9C15220, 16 bytes long.
Data: < [Á¹ > 88 5B C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000281B9C14F50, 16 bytes long.
Data: <`[Á¹ > 60 5B C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000281B9C15400, 16 bytes long.
Data: <8[Á¹ > 38 5B C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000281B9C149B0, 16 bytes long.
Data: < [Á¹ > 10 5B C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000281B9C14960, 16 bytes long.
Data: <@쿹 > 40 EC BF B9 81 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000281B9BFEC40, 40 bytes long.
Data: <`IÁ¹ 0V„» > 60 49 C1 B9 81 02 00 00 30 56 84 BB 81 02 00 00
{252} normal block at 0x00000281B9C154A0, 16 bytes long.
Data: <ðZÁ¹ > F0 5A C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000281B9C14D70, 16 bytes long.
Data: <ÈZÁ¹ > C8 5A C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000281B9C11000, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x00000281B9C154F0, 16 bytes long.
Data: < ZÁ¹ > A0 5A C1 B9 81 02 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x00000281B9C15AA0, 992 bytes long.
Data: <ðTÁ¹ Á¹ > F0 54 C1 B9 81 02 00 00 00 10 C1 B9 81 02 00 00
{84} normal block at 0x00000281B9C10B80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x00000281B9C0DC50, 16 bytes long.
Data: < Ä¿¹ > 00 C4 BF B9 81 02 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000281B9BFC400, 40 bytes long.
Data: <PÜÀ¹ Á¹ > 50 DC C0 B9 81 02 00 00 80 0B C1 B9 81 02 00 00
{61} normal block at 0x00000281B9C0D5C0, 16 bytes long.
Data: < ê)6÷ > 80 EA 29 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000281B9C0D200, 16 bytes long.
Data: <@é)6÷ > 40 E9 29 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000281B9C0D7F0, 16 bytes long.
Data: <øW&6÷ > F8 57 26 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000281B9C0CE40, 16 bytes long.
Data: <ØW&6÷ > D8 57 26 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000281B9C0CDF0, 16 bytes long.
Data: <P &6÷ > 50 04 26 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000281B9C0D660, 16 bytes long.
Data: <0 &6÷ > 30 04 26 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000281B9C0CDA0, 16 bytes long.
Data: <à &6÷ > E0 02 26 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000281B9C0DB10, 16 bytes long.
Data: < &6÷ > 10 04 26 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x00000281B9C0D160, 16 bytes long.
Data: <p &6÷ > 70 04 26 36 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x00000281B9C0D1B0, 16 bytes long.
Data: < À$6÷ > 18 C0 24 36 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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