Task 38612586
| Name | JNK1_A14_A05_r0_5-QUICO_ATM_OpenFF_JNK1-5-6-RND5651_1 |
| Workunit | 31565144 |
| Created | 16 Apr 2026, 9:09:09 UTC |
| Sent | 16 Apr 2026, 9:09:16 UTC |
| Report deadline | 21 Apr 2026, 9:09:16 UTC |
| Received | 16 Apr 2026, 19:46:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627177 |
| Run time | 10 hours 0 min |
| CPU time | 8 hours 15 min 10 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,958.77 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 685.08 MB |
| Peak swap size | 3.84 GB |
| Peak disk usage | 4.06 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
02:48:53 (3732): wrapper (7.9.26016): starting
02:48:57 (3732): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A05_0.pdb
QB_A14_A05_0.xml
QB_A14_A05.inpcrd
QB_A14_A05_input.yaml
QB_A14_A05.pdb
QB_A14_A05.prmtop
QB_A14_A05_sys.xml
run.bat
run.sh
02:49:00 (3732): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:49:07 (3732): 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\5\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\5\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
12:44:31 (3732): C:/Windows/system32/cmd.exe exited; CPU time 29710.265625
12:44:31 (3732): 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: 104610725 bytes.
Dumping objects ->
{3835510} normal block at 0x0000019CB0B45450, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x0000019CB0B453E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835488} normal block at 0x0000019CB0B45290, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835477} normal block at 0x0000019CB0B45370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x0000019CB0B45220, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835435} normal block at 0x0000019CB26F56A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835424} normal block at 0x0000019CB0B9E1E0, 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) : {3835420} normal block at 0x0000019CB0B3DFD0, 8 bytes long.
Data: < 鰜 > 00 00 E9 B0 9C 01 00 00
{3834673} normal block at 0x0000019CB0B9DA90, 140 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 0x0000019CB0B3D3F0, 8 bytes long.
Data: < ز°œ > 00 D8 B2 B0 9C 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000019CB0B30AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019CB0B32210, 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 0x0000019CB0B45CA0, 16 bytes long.
Data: <Èk´°œ > C8 6B B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019CB0B45A20, 16 bytes long.
Data: < k´°œ > A0 6B B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019CB0B41B50, 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 0x0000019CB0B459D0, 16 bytes long.
Data: <xk´°œ > 78 6B B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019CB0B45E30, 16 bytes long.
Data: <Pk´°œ > 50 6B B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019CB0B46380, 16 bytes long.
Data: <(k´°œ > 28 6B B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019CB0B464C0, 16 bytes long.
Data: < k´°œ > 00 6B B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019CB0B456F0, 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 0x0000019CB0B461F0, 16 bytes long.
Data: <x*³°œ > 78 2A B3 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019CB0B418B0, 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 0x0000019CB0B45CF0, 16 bytes long.
Data: <P*³°œ > 50 2A B3 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019CB0B46100, 16 bytes long.
Data: <(*³°œ > 28 2A B3 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019CB0B45B10, 16 bytes long.
Data: < *³°œ > 00 2A B3 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019CB0B45980, 16 bytes long.
Data: <Ø)³°œ > D8 29 B3 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019CB0B462E0, 16 bytes long.
Data: <°)³°œ > B0 29 B3 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019CB0B45ED0, 16 bytes long.
Data: < )³°œ > 88 29 B3 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019CB0B417F0, 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 0x0000019CB0B46240, 16 bytes long.
Data: <`)³°œ > 60 29 B3 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019CB0B32960, 320 bytes long.
Data: <@b´°œ ð ´°œ > 40 62 B4 B0 9C 01 00 00 F0 17 B4 B0 9C 01 00 00
{275} normal block at 0x0000019CB0B46600, 16 bytes long.
Data: <àj´°œ > E0 6A B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019CB0B46290, 16 bytes long.
Data: <¸j´°œ > B8 6A B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019CB0B40EF0, 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 0x0000019CB0B45C50, 16 bytes long.
Data: < j´°œ > 90 6A B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019CB0B41A30, 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 0x0000019CB0B458E0, 16 bytes long.
Data: <Øi´°œ > D8 69 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019CB0B46830, 16 bytes long.
Data: <°i´°œ > B0 69 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019CB0B460B0, 16 bytes long.
Data: < i´°œ > 88 69 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019CB0B46420, 16 bytes long.
Data: <`i´°œ > 60 69 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019CB0B46060, 16 bytes long.
Data: <8i´°œ > 38 69 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019CB0B45DE0, 16 bytes long.
Data: < i´°œ > 10 69 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019CB0B45D90, 16 bytes long.
Data: <`W´°œ > 60 57 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019CB0B45760, 40 bytes long.
Data: < ]´°œ  Vo²œ > 90 5D B4 B0 9C 01 00 00 A0 56 6F B2 9C 01 00 00
{261} normal block at 0x0000019CB0B46560, 16 bytes long.
Data: <ðh´°œ > F0 68 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019CB0B461A0, 16 bytes long.
Data: <Èh´°œ > C8 68 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019CB0B415B0, 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 0x0000019CB0B45AC0, 16 bytes long.
Data: < h´°œ > A0 68 B4 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019CB0B468A0, 992 bytes long.
Data: <ÀZ´°œ ° ´°œ > C0 5A B4 B0 9C 01 00 00 B0 15 B4 B0 9C 01 00 00
{93} normal block at 0x0000019CB0B40E30, 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 0x0000019CB0B3D760, 16 bytes long.
Data: <àî²°œ > E0 EE B2 B0 9C 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000019CB0B2EEE0, 40 bytes long.
Data: <`׳°œ 0 ´°œ > 60 D7 B3 B0 9C 01 00 00 30 0E B4 B0 9C 01 00 00
{70} normal block at 0x0000019CB0B3DC60, 16 bytes long.
Data: < êW ö > 80 EA 57 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019CB0B3DDF0, 16 bytes long.
Data: <@éW ö > 40 E9 57 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019CB0B3E070, 16 bytes long.
Data: <øWT ö > F8 57 54 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019CB0B3DB20, 16 bytes long.
Data: <ØWT ö > D8 57 54 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019CB0B3DEE0, 16 bytes long.
Data: <P T ö > 50 04 54 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019CB0B3D670, 16 bytes long.
Data: <0 T ö > 30 04 54 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019CB0B3D620, 16 bytes long.
Data: <à T ö > E0 02 54 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019CB0B3D9E0, 16 bytes long.
Data: < T ö > 10 04 54 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019CB0B3D490, 16 bytes long.
Data: <p T ö > 70 04 54 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019CB0B3D300, 16 bytes long.
Data: < ÀR ö > 18 C0 52 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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