Task 38607226
| Name | tnks2_A14_A06_r0_2-QUICO_ATM_GAFF2_NAGL_TNKS2-5-6-RND4913_0 |
| Workunit | 31560840 |
| Created | 14 Apr 2026, 8:53:25 UTC |
| Sent | 14 Apr 2026, 9:01:05 UTC |
| Report deadline | 19 Apr 2026, 9:01:05 UTC |
| Received | 15 Apr 2026, 1:37:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652004 |
| Run time | 2 hours 45 min 40 sec |
| CPU time | 2 hours 6 min 57 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 48,745.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 549.75 MB |
| Peak swap size | 12.76 GB |
| Peak disk usage | 2.95 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:52:01 (24424): wrapper (7.9.26016): starting
16:52:01 (24424): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A06_0.pdb
QB_A14_A06_0.xml
QB_A14_A06.inpcrd
QB_A14_A06_input.yaml
QB_A14_A06.pdb
QB_A14_A06.prmtop
QB_A14_A06_sys.xml
run.bat
run.sh
16:52:03 (24424): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:52:03 (24424): 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\2\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\2\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
19:36:49 (24424): C:/Windows/system32/cmd.exe exited; CPU time 7617.093750
19:36:49 (24424): 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: 150542409 bytes.
Dumping objects ->
{3835246} normal block at 0x0000025A89C24930, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835235} normal block at 0x0000025A89C248C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x0000025A89C24CB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835213} normal block at 0x0000025A89C24BD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x0000025A89C24850, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835171} normal block at 0x0000025A8BA665C0, 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) : {3835158} normal block at 0x0000025A89C1D840, 8 bytes long.
Data: < ŠZ > 00 00 12 8A 5A 02 00 00
{3833943} normal block at 0x0000025A89C1D890, 8 bytes long.
Data: <@ÕÀ‰Z > 40 D5 C0 89 5A 02 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000025A89C111F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025A89C11F30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x0000025A89C25B30, 16 bytes long.
Data: <øe‰Z > F8 65 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025A89C25AE0, 16 bytes long.
Data: <Ðe‰Z > D0 65 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025A89C20360, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x0000025A89C259A0, 16 bytes long.
Data: <¨e‰Z > A8 65 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025A89C25860, 16 bytes long.
Data: < e‰Z > 80 65 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025A89C254A0, 16 bytes long.
Data: <Xe‰Z > 58 65 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025A89C25A90, 16 bytes long.
Data: <0e‰Z > 30 65 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025A89C24E00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x0000025A89C25720, 16 bytes long.
Data: <x Á‰Z > 78 05 C1 89 5A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025A89C209C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x0000025A89C25F40, 16 bytes long.
Data: <P Á‰Z > 50 05 C1 89 5A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025A89C25950, 16 bytes long.
Data: <( Á‰Z > 28 05 C1 89 5A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025A89C25450, 16 bytes long.
Data: < Á‰Z > 00 05 C1 89 5A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025A89C25D10, 16 bytes long.
Data: <Ø Á‰Z > D8 04 C1 89 5A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025A89C253B0, 16 bytes long.
Data: <° Á‰Z > B0 04 C1 89 5A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025A89C25EF0, 16 bytes long.
Data: < Á‰Z > 88 04 C1 89 5A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025A89C210E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x0000025A89C25B80, 16 bytes long.
Data: <` Á‰Z > 60 04 C1 89 5A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025A89C10460, 320 bytes long.
Data: < [‰Z à ‰Z > 80 5B C2 89 5A 02 00 00 E0 10 C2 89 5A 02 00 00
{267} normal block at 0x0000025A89C26030, 16 bytes long.
Data: < e‰Z > 10 65 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025A89C26260, 16 bytes long.
Data: <èd‰Z > E8 64 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025A89C205A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x0000025A89C25360, 16 bytes long.
Data: <Àd‰Z > C0 64 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025A89C208A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x0000025A89C259F0, 16 bytes long.
Data: < d‰Z > 08 64 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025A89C25A40, 16 bytes long.
Data: <àc‰Z > E0 63 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025A89C261C0, 16 bytes long.
Data: <¸c‰Z > B8 63 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025A89C25810, 16 bytes long.
Data: < c‰Z > 90 63 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025A89C25770, 16 bytes long.
Data: <hc‰Z > 68 63 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025A89C25DB0, 16 bytes long.
Data: <@c‰Z > 40 63 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000025A89C26170, 16 bytes long.
Data: < M‰Z > 20 4D C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000025A89C24D20, 40 bytes long.
Data: <pa‰Z Àe¦‹Z > 70 61 C2 89 5A 02 00 00 C0 65 A6 8B 5A 02 00 00
{253} normal block at 0x0000025A89C25310, 16 bytes long.
Data: < c‰Z > 20 63 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000025A89C26080, 16 bytes long.
Data: <øb‰Z > F8 62 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000025A89C20600, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x0000025A89C25400, 16 bytes long.
Data: <Ðb‰Z > D0 62 C2 89 5A 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x0000025A89C262D0, 992 bytes long.
Data: < T‰Z ‰Z > 00 54 C2 89 5A 02 00 00 00 06 C2 89 5A 02 00 00
{85} normal block at 0x0000025A89C207E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x0000025A89C1D610, 16 bytes long.
Data: < ìÀ‰Z > 10 EC C0 89 5A 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000025A89C0EC10, 40 bytes long.
Data: < ÖÁ‰Z à ‰Z > 10 D6 C1 89 5A 02 00 00 E0 07 C2 89 5A 02 00 00
{62} normal block at 0x0000025A89C1D390, 16 bytes long.
Data: < ê­ý÷ > 80 EA AD FD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025A89C1DB60, 16 bytes long.
Data: <@é­ý÷ > 40 E9 AD FD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025A89C1D2F0, 16 bytes long.
Data: <øWªý÷ > F8 57 AA FD F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000025A89C1CFD0, 16 bytes long.
Data: <ØWªý÷ > D8 57 AA FD F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000025A89C1D070, 16 bytes long.
Data: <P ªý÷ > 50 04 AA FD F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000025A89C1D520, 16 bytes long.
Data: <0 ªý÷ > 30 04 AA FD F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000025A89C1D200, 16 bytes long.
Data: <à ªý÷ > E0 02 AA FD F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000025A89C1D7F0, 16 bytes long.
Data: < ªý÷ > 10 04 AA FD F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000025A89C1D2A0, 16 bytes long.
Data: <p ªý÷ > 70 04 AA FD F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000025A89C1D340, 16 bytes long.
Data: < À¨ý÷ > 18 C0 A8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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