Task 38612843
| Name | JNK1_A13_A20_r0_5-QUICO_ATM_OpenFF_JNK1-5-6-RND9462_0 |
| Workunit | 31565406 |
| Created | 16 Apr 2026, 12:36:19 UTC |
| Sent | 16 Apr 2026, 12:36:23 UTC |
| Report deadline | 21 Apr 2026, 12:36:23 UTC |
| Received | 16 Apr 2026, 16:59:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 636922 |
| Run time | 4 hours 23 min 23 sec |
| CPU time | 4 hours 28 min 43 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 11,984.33 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.68 MB |
| Peak swap size | 12.85 GB |
| Peak disk usage | 3.09 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
08:37:04 (43060): wrapper (7.9.26016): starting
08:37:04 (43060): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A20_0.pdb
QB_A13_A20_0.xml
QB_A13_A20.inpcrd
QB_A13_A20_input.yaml
QB_A13_A20.pdb
QB_A13_A20.prmtop
QB_A13_A20_sys.xml
run.bat
run.sh
08:37:05 (43060): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:37:05 (43060): 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
12:59:08 (43060): C:/Windows/system32/cmd.exe exited; CPU time 16123.265625
12:59:08 (43060): 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: 275123325 bytes.
Dumping objects ->
{3835594} normal block at 0x000001F170A60990, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835583} normal block at 0x000001F170A60DF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835572} normal block at 0x000001F170A615D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835561} normal block at 0x000001F170A61170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835550} normal block at 0x000001F170A612C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835519} normal block at 0x000001F170C12DC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x000001F170C275A0, 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) : {3835505} normal block at 0x000001F16EECF2B0, 8 bytes long.
Data: < çnñ > 00 00 E7 6E F1 01 00 00
{3834715} normal block at 0x000001F170C27910, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x000001F16EECE900, 8 bytes long.
Data: <@yënñ > 40 79 EB 6E F1 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F16EEBDA40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F16EEB9630, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001F16EECEE50, 16 bytes long.
Data: < öìnñ > 98 F6 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F16EECECC0, 16 bytes long.
Data: <pöìnñ > 70 F6 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F16EEC94D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001F16EECF170, 16 bytes long.
Data: <Höìnñ > 48 F6 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F16EECE810, 16 bytes long.
Data: < öìnñ > 20 F6 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F16EECE680, 16 bytes long.
Data: <øõìnñ > F8 F5 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F16EECED10, 16 bytes long.
Data: <Ðõìnñ > D0 F5 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F16EECAA80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001F16EECE950, 16 bytes long.
Data: <ø§ënñ > F8 A7 EB 6E F1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F16EEC9950, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001F16EECE7C0, 16 bytes long.
Data: <Чënñ > D0 A7 EB 6E F1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F16EECE540, 16 bytes long.
Data: <¨§ënñ > A8 A7 EB 6E F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F16EECEFE0, 16 bytes long.
Data: < §ënñ > 80 A7 EB 6E F1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F16EECE4A0, 16 bytes long.
Data: <X§ënñ > 58 A7 EB 6E F1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F16EECEC20, 16 bytes long.
Data: <0§ënñ > 30 A7 EB 6E F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F16EECEBD0, 16 bytes long.
Data: < §ënñ > 08 A7 EB 6E F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F16EEC90B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001F16EECEAE0, 16 bytes long.
Data: <à¦ënñ > E0 A6 EB 6E F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F16EEBA6E0, 320 bytes long.
Data: <àêìnñ ° ìnñ > E0 EA EC 6E F1 01 00 00 B0 90 EC 6E F1 01 00 00
{280} normal block at 0x000001F16EECED60, 16 bytes long.
Data: <°õìnñ > B0 F5 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F16EECE400, 16 bytes long.
Data: < õìnñ > 88 F5 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F16EEC8E70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001F16EECF1C0, 16 bytes long.
Data: <`õìnñ > 60 F5 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F16EEC8F90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001F16EECE630, 16 bytes long.
Data: <¨ôìnñ > A8 F4 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F16EECE450, 16 bytes long.
Data: < ôìnñ > 80 F4 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F16EECE3B0, 16 bytes long.
Data: <Xôìnñ > 58 F4 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F16EECE590, 16 bytes long.
Data: <0ôìnñ > 30 F4 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F16EECE8B0, 16 bytes long.
Data: < ôìnñ > 08 F4 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F16EECEDB0, 16 bytes long.
Data: <àóìnñ > E0 F3 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F16EECF260, 16 bytes long.
Data: < ªìnñ > 10 AA EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F16EECAA10, 40 bytes long.
Data: <`òìnñ À-Ápñ > 60 F2 EC 6E F1 01 00 00 C0 2D C1 70 F1 01 00 00
{266} normal block at 0x000001F16EECF210, 16 bytes long.
Data: <Àóìnñ > C0 F3 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F16EECEB30, 16 bytes long.
Data: < óìnñ > 98 F3 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F16EEC9050, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001F16EECF120, 16 bytes long.
Data: <póìnñ > 70 F3 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F16EECF370, 992 bytes long.
Data: < ñìnñ P ìnñ > 20 F1 EC 6E F1 01 00 00 50 90 EC 6E F1 01 00 00
{98} normal block at 0x000001F16EEC9770, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001F16EEBC740, 16 bytes long.
Data: <à§ìnñ > E0 A7 EC 6E F1 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001F16EECA7E0, 40 bytes long.
Data: <@Çënñ p—ìnñ > 40 C7 EB 6E F1 01 00 00 70 97 EC 6E F1 01 00 00
{75} normal block at 0x000001F16EEBBD40, 16 bytes long.
Data: < ê0 ÷ > 80 EA 30 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F16EEBC6A0, 16 bytes long.
Data: <@é0 ÷ > 40 E9 30 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F16EEBBB60, 16 bytes long.
Data: <øW- ÷ > F8 57 2D 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F16EEBC650, 16 bytes long.
Data: <ØW- ÷ > D8 57 2D 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F16EEBB930, 16 bytes long.
Data: <P - ÷ > 50 04 2D 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F16EEBC4C0, 16 bytes long.
Data: <0 - ÷ > 30 04 2D 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F16EEBC830, 16 bytes long.
Data: <à - ÷ > E0 02 2D 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F16EEBC600, 16 bytes long.
Data: < - ÷ > 10 04 2D 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F16EEBC7E0, 16 bytes long.
Data: <p - ÷ > 70 04 2D 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F16EEBBC00, 16 bytes long.
Data: < À+ ÷ > 18 C0 2B 05 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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