Task 38642288
| Name | JNK1_RE_A14_A05_r0_3-QUICO_ATM_GAFF2_NAGL_JNK1_RE-4-6-RND0658_1 |
| Workunit | 31587718 |
| Created | 6 May 2026, 12:08:16 UTC |
| Sent | 6 May 2026, 12:08:24 UTC |
| Report deadline | 11 May 2026, 12:08:24 UTC |
| Received | 7 May 2026, 4:52:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639137 |
| Run time | 3 hours 50 min 9 sec |
| CPU time | 3 hours 49 min 41 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,455.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 674.59 MB |
| Peak swap size | 8.27 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:01:10 (72804): wrapper (7.9.26016): starting
00:01:10 (72804): 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
00:01:12 (72804): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:01:12 (72804): 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\10\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\10\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
03:50:08 (72804): C:/Windows/system32/cmd.exe exited; CPU time 13781.828125
03:50:08 (72804): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 390078491 bytes.
Dumping objects ->
{3835389} normal block at 0x000001929C400C30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835378} normal block at 0x000001929C4012C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835367} normal block at 0x000001929C4016B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835356} normal block at 0x000001929C400A00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835345} normal block at 0x000001929C400B50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835314} normal block at 0x000001929C5CB260, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835301} normal block at 0x000001929A86FA60, 8 bytes long.
Data: < {š’ > 00 00 7B 9A 92 01 00 00
{3833970} normal block at 0x000001929A86F970, 8 bytes long.
Data: <Pæ@œ’ > 50 E6 40 9C 92 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001929A86C200, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001929A864B70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001929A879CA0, 16 bytes long.
Data: <H©‡š’ > 48 A9 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001929A8797A0, 16 bytes long.
Data: < ©‡š’ > 20 A9 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001929A8731A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001929A879750, 16 bytes long.
Data: <ø¨‡š’ > F8 A8 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001929A879700, 16 bytes long.
Data: <Ш‡š’ > D0 A8 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001929A8796B0, 16 bytes long.
Data: <¨¨‡š’ > A8 A8 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001929A87A4C0, 16 bytes long.
Data: < ¨‡š’ > 80 A8 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001929A875900, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001929A87A010, 16 bytes long.
Data: <È3†š’ > C8 33 86 9A 92 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001929A873140, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001929A87A1A0, 16 bytes long.
Data: < 3†š’ > A0 33 86 9A 92 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001929A87A5B0, 16 bytes long.
Data: <x3†š’ > 78 33 86 9A 92 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001929A879930, 16 bytes long.
Data: <P3†š’ > 50 33 86 9A 92 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001929A879ED0, 16 bytes long.
Data: <(3†š’ > 28 33 86 9A 92 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001929A879840, 16 bytes long.
Data: < 3†š’ > 00 33 86 9A 92 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001929A879A70, 16 bytes long.
Data: <Ø2†š’ > D8 32 86 9A 92 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001929A873980, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001929A879FC0, 16 bytes long.
Data: <°2†š’ > B0 32 86 9A 92 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001929A8632B0, 320 bytes long.
Data: <ÀŸ‡š’ 9‡š’ > C0 9F 87 9A 92 01 00 00 80 39 87 9A 92 01 00 00
{278} normal block at 0x000001929A87A150, 16 bytes long.
Data: <`¨‡š’ > 60 A8 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001929A879E80, 16 bytes long.
Data: <8¨‡š’ > 38 A8 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001929A873BC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001929A879DE0, 16 bytes long.
Data: < ¨‡š’ > 10 A8 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001929A873680, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001929A879660, 16 bytes long.
Data: <X§‡š’ > 58 A7 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001929A87A510, 16 bytes long.
Data: <0§‡š’ > 30 A7 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001929A879D40, 16 bytes long.
Data: < §‡š’ > 08 A7 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001929A87A420, 16 bytes long.
Data: <ইš’ > E0 A6 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001929A87A100, 16 bytes long.
Data: <¸¦‡š’ > B8 A6 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001929A879F70, 16 bytes long.
Data: < ¦‡š’ > 90 A6 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001929A87A2E0, 16 bytes long.
Data: <àY‡š’ > E0 59 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001929A8759E0, 40 bytes long.
Data: <ࢇš’ `²\œ’ > E0 A2 87 9A 92 01 00 00 60 B2 5C 9C 92 01 00 00
{264} normal block at 0x000001929A879890, 16 bytes long.
Data: <p¦‡š’ > 70 A6 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001929A87A3D0, 16 bytes long.
Data: <H¦‡š’ > 48 A6 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001929A873800, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001929A87A290, 16 bytes long.
Data: < ¦‡š’ > 20 A6 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001929A87A620, 992 bytes long.
Data: < ¢‡š’ 8‡š’ > 90 A2 87 9A 92 01 00 00 00 38 87 9A 92 01 00 00
{96} normal block at 0x000001929A873080, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001929A86F150, 16 bytes long.
Data: <ÐV‡š’ > D0 56 87 9A 92 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001929A8756D0, 40 bytes long.
Data: <Pñ†š’ 0‡š’ > 50 F1 86 9A 92 01 00 00 80 30 87 9A 92 01 00 00
{73} normal block at 0x000001929A86F5B0, 16 bytes long.
Data: < êD¬ö > 80 EA 44 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001929A86FA10, 16 bytes long.
Data: <@éD¬ö > 40 E9 44 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001929A86F0B0, 16 bytes long.
Data: <øWA¬ö > F8 57 41 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001929A86F650, 16 bytes long.
Data: <ØWA¬ö > D8 57 41 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001929A86F510, 16 bytes long.
Data: <P A¬ö > 50 04 41 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001929A86F330, 16 bytes long.
Data: <0 A¬ö > 30 04 41 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001929A86F4C0, 16 bytes long.
Data: <à A¬ö > E0 02 41 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001929A86F7E0, 16 bytes long.
Data: < A¬ö > 10 04 41 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001929A86F920, 16 bytes long.
Data: <p A¬ö > 70 04 41 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001929A86F3D0, 16 bytes long.
Data: < À?¬ö > 18 C0 3F AC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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