Task 38583444
| Name | PFKFB3_A16_A15_r0_5-QUICO_ATM_GAFF2_LOMAP_PFKFB3-3-5-RND1370_0 |
| Workunit | 31547577 |
| Created | 14 Dec 2025, 5:22:45 UTC |
| Sent | 14 Dec 2025, 5:22:54 UTC |
| Report deadline | 19 Dec 2025, 5:22:54 UTC |
| Received | 14 Dec 2025, 17:20:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 619022 |
| Run time | 11 hours 47 min 52 sec |
| CPU time | 11 hours 18 min 32 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 35,334.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 770.82 MB |
| Peak swap size | 7.12 GB |
| Peak disk usage | 4.24 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:31:01 (14048): wrapper (7.9.26016): starting
21:31:01 (14048): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A15_0.pdb
QB_A16_A15_0.xml
QB_A16_A15_equil.pdb
QB_A16_A15.inpcrd
QB_A16_A15_input.yaml
QB_A16_A15_mdlambda.pdb
QB_A16_A15_min.pdb
QB_A16_A15_npt.pdb
QB_A16_A15.pdb
QB_A16_A15.prmtop
QB_A16_A15_sys.xml
QB_A16_A15_therm.pdb
run.bat
run.sh
21:31:03 (14048): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:31:03 (14048): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:18:06 (14048): C:/Windows/system32/cmd.exe exited; CPU time 40712.093750
09:18:06 (14048): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 571728929 bytes.
Dumping objects ->
{3835331} normal block at 0x000002BACEE26860, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x000002BACEE26BE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835309} normal block at 0x000002BACEE26710, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835298} normal block at 0x000002BACEE26E10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000002BACEE26940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835256} normal block at 0x000002BAD0A89BE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x000002BAD0AE49E0, 235 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) : {3835242} normal block at 0x000002BACEE1DC00, 8 bytes long.
Data: < ºÐº > 00 00 BA D0 BA 02 00 00
{3834594} normal block at 0x000002BAD0B16E60, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000002BACEE1E240, 8 bytes long.
Data: <pã к > 70 E3 99 D0 BA 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002BACEE11E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002BACEE12E70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002BACEE27AB0, 16 bytes long.
Data: <¸ƒâκ > B8 83 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002BACEE27A60, 16 bytes long.
Data: < ƒâκ > 90 83 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002BACEE21F60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002BACEE279C0, 16 bytes long.
Data: <hƒâκ > 68 83 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BACEE27E70, 16 bytes long.
Data: <@ƒâκ > 40 83 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002BACEE27920, 16 bytes long.
Data: < ƒâκ > 18 83 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002BACEE27DD0, 16 bytes long.
Data: <ð‚âκ > F0 82 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BACEE26CC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002BACEE277E0, 16 bytes long.
Data: < áκ > 08 13 E1 CE BA 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BACEE22260, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002BACEE274C0, 16 bytes long.
Data: <à áκ > E0 12 E1 CE BA 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BACEE27650, 16 bytes long.
Data: <¸ áκ > B8 12 E1 CE BA 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BACEE271F0, 16 bytes long.
Data: < áκ > 90 12 E1 CE BA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BACEE276A0, 16 bytes long.
Data: <h áκ > 68 12 E1 CE BA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BACEE27240, 16 bytes long.
Data: <@ áκ > 40 12 E1 CE BA 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002BACEE27380, 16 bytes long.
Data: < áκ > 18 12 E1 CE BA 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BACEE221A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002BACEE271A0, 16 bytes long.
Data: <ð áκ > F0 11 E1 CE BA 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BACEE111F0, 320 bytes long.
Data: < qâκ  !âκ > A0 71 E2 CE BA 02 00 00 A0 21 E2 CE BA 02 00 00
{274} normal block at 0x000002BACEE27600, 16 bytes long.
Data: <Ђâκ > D0 82 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BACEE27060, 16 bytes long.
Data: <¨‚âκ > A8 82 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BACEE21EA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002BACEE273D0, 16 bytes long.
Data: < ‚âκ > 80 82 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BACEE216C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002BACEE27560, 16 bytes long.
Data: <È âκ > C8 81 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BACEE278D0, 16 bytes long.
Data: <  âκ > A0 81 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BACEE27740, 16 bytes long.
Data: <x âκ > 78 81 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BACEE27790, 16 bytes long.
Data: <P âκ > 50 81 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002BACEE27970, 16 bytes long.
Data: <( âκ > 28 81 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BACEE27CE0, 16 bytes long.
Data: < âκ > 00 81 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002BACEE27830, 16 bytes long.
Data: <Plâκ > 50 6C E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BACEE26C50, 40 bytes long.
Data: <0xâκ à›¨Ðº > 30 78 E2 CE BA 02 00 00 E0 9B A8 D0 BA 02 00 00
{260} normal block at 0x000002BACEE27880, 16 bytes long.
Data: <à âκ > E0 80 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002BACEE27C90, 16 bytes long.
Data: <¸ âκ > B8 80 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002BACEE21AE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002BACEE27E20, 16 bytes long.
Data: < âκ > 90 80 E2 CE BA 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002BACEE28090, 992 bytes long.
Data: < ~âκ à âκ > 20 7E E2 CE BA 02 00 00 E0 1A E2 CE BA 02 00 00
{92} normal block at 0x000002BACEE215A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002BACEE1E920, 16 bytes long.
Data: < Äàκ > 80 C4 E0 CE BA 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002BACEE0C480, 40 bytes long.
Data: < éáκ   âκ > 20 E9 E1 CE BA 02 00 00 A0 15 E2 CE BA 02 00 00
{69} normal block at 0x000002BACEE1E560, 16 bytes long.
Data: < ê¯Å÷ > 80 EA AF C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BACEE1E510, 16 bytes long.
Data: <@é¯Å÷ > 40 E9 AF C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BACEE1E420, 16 bytes long.
Data: <øW¬Å÷ > F8 57 AC C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BACEE1E740, 16 bytes long.
Data: <ØW¬Å÷ > D8 57 AC C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BACEE1DED0, 16 bytes long.
Data: <P ¬Å÷ > 50 04 AC C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002BACEE1DF20, 16 bytes long.
Data: <0 ¬Å÷ > 30 04 AC C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BACEE1E3D0, 16 bytes long.
Data: <à ¬Å÷ > E0 02 AC C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BACEE1E8D0, 16 bytes long.
Data: < ¬Å÷ > 10 04 AC C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002BACEE1E4C0, 16 bytes long.
Data: <p ¬Å÷ > 70 04 AC C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002BACEE1E470, 16 bytes long.
Data: < ÀªÅ÷ > 18 C0 AA C5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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