Task 38585186
| Name | JNK1_A04_A12_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-2-5-RND8692_0 |
| Workunit | 31548600 |
| Created | 19 Dec 2025, 5:58:03 UTC |
| Sent | 19 Dec 2025, 5:58:04 UTC |
| Report deadline | 24 Dec 2025, 5:58:04 UTC |
| Received | 19 Dec 2025, 12:20:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 608298 |
| Run time | 3 hours 36 min 51 sec |
| CPU time | 3 hours 36 min 51 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,507.57 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 695.49 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.58 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:00:08 (19012): wrapper (7.9.26016): starting
08:00:08 (19012): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A12_0.pdb
QB_A04_A12_0.xml
QB_A04_A12_equil.pdb
QB_A04_A12.inpcrd
QB_A04_A12_input.yaml
QB_A04_A12_mdlambda.pdb
QB_A04_A12_min.pdb
QB_A04_A12_npt.pdb
QB_A04_A12_out_merged_nowater.pdb
QB_A04_A12.pdb
QB_A04_A12.prmtop
QB_A04_A12_sys.xml
QB_A04_A12_therm.pdb
run.bat
run.sh
08:00:10 (19012): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:00:10 (19012): 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\4\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\4\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.
12:29:32 (16296): wrapper (7.9.26016): starting
12:29:32 (16296): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\4\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:19:06 (16296): C:/Windows/system32/cmd.exe exited; CPU time 6539.718750
14:19:06 (16296): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 91729336 bytes.
Dumping objects ->
{1936} normal block at 0x0000025F4BB66240, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1925} normal block at 0x0000025F4BB660F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1914} normal block at 0x0000025F4BB66010, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1903} normal block at 0x0000025F4BB66080, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1892} normal block at 0x0000025F4BB65DE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1861} normal block at 0x0000025F4BB529A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1850} normal block at 0x0000025F4BB55400, 255 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) : {1847} normal block at 0x0000025F4BB69D90, 8 bytes long.
Data: < L_ > 00 00 12 4C 5F 02 00 00
{1063} normal block at 0x0000025F4BB54640, 255 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x0000025F4BB6A6A0, 8 bytes long.
Data: <` K_ > 60 AF B6 4B 5F 02 00 00
{297} normal block at 0x0000025F4BB66E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000025F4BB6A1A0, 16 bytes long.
Data: <h K_ > 68 AE B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025F4BB6A560, 16 bytes long.
Data: <@ K_ > 40 AE B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025F4BB633B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000025F4BB6A4C0, 16 bytes long.
Data: < K_ > 18 AE B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025F4BB6A330, 16 bytes long.
Data: < K_ > F0 AD B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025F4BB6A1F0, 16 bytes long.
Data: < K_ > C8 AD B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025F4BB69AC0, 16 bytes long.
Data: < K_ > A0 AD B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025F4BB66320, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000025F4BB69FC0, 16 bytes long.
Data: <8) K_ > 38 29 B5 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025F4BB636B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000025F4BB69B60, 16 bytes long.
Data: < ) K_ > 10 29 B5 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025F4BB6A830, 16 bytes long.
Data: < ( K_ > E8 28 B5 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025F4BB69E80, 16 bytes long.
Data: < ( K_ > C0 28 B5 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025F4BB69D40, 16 bytes long.
Data: < ( K_ > 98 28 B5 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025F4BB6A790, 16 bytes long.
Data: <p( K_ > 70 28 B5 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025F4BB69A20, 16 bytes long.
Data: <H( K_ > 48 28 B5 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025F4BB63710, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000025F4BB6A740, 16 bytes long.
Data: < ( K_ > 20 28 B5 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025F4BB52820, 320 bytes long.
Data: <@ K_ 7 K_ > 40 A7 B6 4B 5F 02 00 00 10 37 B6 4B 5F 02 00 00
{276} normal block at 0x0000025F4BB6A150, 16 bytes long.
Data: < K_ > 80 AD B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025F4BB6A7E0, 16 bytes long.
Data: <X K_ > 58 AD B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025F4BB63DD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000025F4BB6A3D0, 16 bytes long.
Data: <0 K_ > 30 AD B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025F4BB63530, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000025F4BB6A650, 16 bytes long.
Data: <x K_ > 78 AC B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025F4BB6A8D0, 16 bytes long.
Data: <P K_ > 50 AC B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025F4BB6A010, 16 bytes long.
Data: <( K_ > 28 AC B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025F4BB69F20, 16 bytes long.
Data: < K_ > 00 AC B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025F4BB699D0, 16 bytes long.
Data: < K_ > D8 AB B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025F4BB69E30, 16 bytes long.
Data: < K_ > B0 AB B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025F4BB69C00, 16 bytes long.
Data: < c K_ > 90 63 B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025F4BB66390, 40 bytes long.
Data: < K_ ) K_ > 00 9C B6 4B 5F 02 00 00 A0 29 B5 4B 5F 02 00 00
{262} normal block at 0x0000025F4BB69F70, 16 bytes long.
Data: < K_ > 90 AB B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025F4BB69CF0, 16 bytes long.
Data: <h K_ > 68 AB B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025F4BB63350, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000025F4BB69C50, 16 bytes long.
Data: <@ K_ > 40 AB B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025F4BB6AB40, 992 bytes long.
Data: <P K_ P3 K_ > 50 9C B6 4B 5F 02 00 00 50 33 B6 4B 5F 02 00 00
{94} normal block at 0x0000025F4BB63890, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000025F4BB5CD60, 16 bytes long.
Data: <0_ K_ > 30 5F B6 4B 5F 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000025F4BB65F30, 40 bytes long.
Data: <` K_ 8 K_ > 60 CD B5 4B 5F 02 00 00 90 38 B6 4B 5F 02 00 00
{71} normal block at 0x0000025F4BB5CFE0, 16 bytes long.
Data: < i > 80 EA 69 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025F4BB5D170, 16 bytes long.
Data: <@ i > 40 E9 69 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025F4BB5CB80, 16 bytes long.
Data: < Wf > F8 57 66 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025F4BB5D530, 16 bytes long.
Data: < Wf > D8 57 66 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025F4BB5C950, 16 bytes long.
Data: <P f > 50 04 66 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025F4BB5CF40, 16 bytes long.
Data: <0 f > 30 04 66 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025F4BB5CF90, 16 bytes long.
Data: < f > E0 02 66 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025F4BB5CAE0, 16 bytes long.
Data: < f > 10 04 66 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025F4BB5CEF0, 16 bytes long.
Data: <p f > 70 04 66 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025F4BB5C9F0, 16 bytes long.
Data: < d > 18 C0 64 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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