Task 38639522
| Name | JNK1_RE_A02_A08_r0_5-QUICO_ATM_GAFF2_NAGL_JNK1_RE-4-6-RND6449_0 |
| Workunit | 31587066 |
| Created | 30 Apr 2026, 20:48:32 UTC |
| Sent | 30 Apr 2026, 20:48:45 UTC |
| Report deadline | 5 May 2026, 20:48:45 UTC |
| Received | 2 May 2026, 8:23:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652211 |
| Run time | 7 hours 28 min 15 sec |
| CPU time | 7 hours 28 min 15 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 36,133.71 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 685.64 MB |
| Peak swap size | 11.42 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:01:40 (29836): wrapper (7.9.26016): starting
03:01:40 (29836): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A08_0.pdb
QB_A02_A08_0.xml
QB_A02_A08.inpcrd
QB_A02_A08_input.yaml
QB_A02_A08.pdb
QB_A02_A08.prmtop
QB_A02_A08_sys.xml
run.bat
run.sh
03:01:42 (29836): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:01:42 (29836): 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:\Boinc\004\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:\Boinc\004\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
10:22:08 (29836): C:/Windows/system32/cmd.exe exited; CPU time 26895.796875
10:22:08 (29836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 670464817 bytes.
Dumping objects ->
{3835216} normal block at 0x0000019173500A70, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835205} normal block at 0x00000191736645C0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835194} normal block at 0x0000019173664FE0, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3835183} normal block at 0x0000019173664200, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835172} normal block at 0x0000019173664380, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835141} normal block at 0x00000191735016B0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835130} normal block at 0x00000191735405F0, 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) : {3835127} normal block at 0x00000191719E6E20, 8 bytes long.
Data: < Qs‘ > 00 00 51 73 91 01 00 00
{3834530} normal block at 0x00000191735406C0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x00000191719E7500, 8 bytes long.
Data: <pêPs‘ > 70 EA 50 73 91 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000191719F1870, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000191719EC770, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000191719F33A0, 16 bytes long.
Data: <h9Ÿq‘ > 68 39 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000191719F2F90, 16 bytes long.
Data: <@9Ÿq‘ > 40 39 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000191719ECAA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000191719F2DB0, 16 bytes long.
Data: < 9Ÿq‘ > 18 39 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000191719F2D60, 16 bytes long.
Data: <ð8Ÿq‘ > F0 38 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000191719F3300, 16 bytes long.
Data: <È8Ÿq‘ > C8 38 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000191719F35D0, 16 bytes long.
Data: < 8Ÿq‘ > A0 38 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000191719EB8F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000191719F2A40, 16 bytes long.
Data: < Çžq‘ > 08 C7 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000191719ED280, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000191719F29F0, 16 bytes long.
Data: <àÆžq‘ > E0 C6 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000191719F3170, 16 bytes long.
Data: <¸Æžq‘ > B8 C6 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000191719F2D10, 16 bytes long.
Data: < Æžq‘ > 90 C6 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000191719F29A0, 16 bytes long.
Data: <hÆžq‘ > 68 C6 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000191719F3580, 16 bytes long.
Data: <@Æžq‘ > 40 C6 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000191719F3530, 16 bytes long.
Data: < Æžq‘ > 18 C6 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000191719ED700, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000191719F2950, 16 bytes long.
Data: <ðÅžq‘ > F0 C5 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000191719EC5F0, 320 bytes long.
Data: <P)Ÿq‘ מq‘ > 50 29 9F 71 91 01 00 00 00 D7 9E 71 91 01 00 00
{270} normal block at 0x00000191719F31C0, 16 bytes long.
Data: < 8Ÿq‘ > 80 38 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000191719F2EF0, 16 bytes long.
Data: <X8Ÿq‘ > 58 38 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000191719ED040, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000191719F3260, 16 bytes long.
Data: <08Ÿq‘ > 30 38 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000191719ED400, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000191719F2C20, 16 bytes long.
Data: <x7Ÿq‘ > 78 37 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000191719F2680, 16 bytes long.
Data: <P7Ÿq‘ > 50 37 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000191719F28B0, 16 bytes long.
Data: <(7Ÿq‘ > 28 37 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000191719F27C0, 16 bytes long.
Data: < 7Ÿq‘ > 00 37 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000191719F33F0, 16 bytes long.
Data: <Ø6Ÿq‘ > D8 36 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000191719F2900, 16 bytes long.
Data: <°6Ÿq‘ > B0 36 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000191719F2EA0, 16 bytes long.
Data: <À¶žq‘ > C0 B6 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000191719EB6C0, 40 bytes long.
Data: < .Ÿq‘ ° Ps‘ > A0 2E 9F 71 91 01 00 00 B0 16 50 73 91 01 00 00
{256} normal block at 0x00000191719F2E00, 16 bytes long.
Data: < 6Ÿq‘ > 90 36 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000191719F3440, 16 bytes long.
Data: <h6Ÿq‘ > 68 36 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000191719ED520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000191719F3120, 16 bytes long.
Data: <@6Ÿq‘ > 40 36 9F 71 91 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000191719F3640, 992 bytes long.
Data: < 1Ÿq‘ Õžq‘ > 20 31 9F 71 91 01 00 00 20 D5 9E 71 91 01 00 00
{88} normal block at 0x00000191719ECE60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000191719E6EC0, 16 bytes long.
Data: <P¶žq‘ > 50 B6 9E 71 91 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000191719EB650, 40 bytes long.
Data: <Ànžq‘ `Ξq‘ > C0 6E 9E 71 91 01 00 00 60 CE 9E 71 91 01 00 00
{65} normal block at 0x00000191719E7280, 16 bytes long.
Data: < êê ö > 80 EA EA 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000191719E7550, 16 bytes long.
Data: <@éê ö > 40 E9 EA 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000191719E7000, 16 bytes long.
Data: <øWç ö > F8 57 E7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000191719E70F0, 16 bytes long.
Data: <ØWç ö > D8 57 E7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000191719E7230, 16 bytes long.
Data: <P ç ö > 50 04 E7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000191719E6B50, 16 bytes long.
Data: <0 ç ö > 30 04 E7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000191719E7410, 16 bytes long.
Data: <à ç ö > E0 02 E7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000191719E6FB0, 16 bytes long.
Data: < ç ö > 10 04 E7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000191719E69C0, 16 bytes long.
Data: <p ç ö > 70 04 E7 8F F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000191719E74B0, 16 bytes long.
Data: < Àå ö > 18 C0 E5 8F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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