Task 38581859
| Name | HIF2A_A13_A11_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND0302_0 |
| Workunit | 31546263 |
| Created | 12 Dec 2025, 16:29:31 UTC |
| Sent | 12 Dec 2025, 16:29:49 UTC |
| Report deadline | 17 Dec 2025, 16:29:49 UTC |
| Received | 14 Dec 2025, 10:56:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638780 |
| Run time | 3 hours 15 min 7 sec |
| CPU time | 3 hours 5 min 52 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,121.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 480.32 MB |
| Peak swap size | 11.00 GB |
| Peak disk usage | 4.09 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:41:54 (15996): wrapper (7.9.26016): starting
15:41:54 (15996): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A11_0.pdb
QB_A13_A11_0.xml
QB_A13_A11_equil.pdb
QB_A13_A11.inpcrd
QB_A13_A11_input.yaml
QB_A13_A11_mdlambda.pdb
QB_A13_A11_min.pdb
QB_A13_A11_npt.pdb
QB_A13_A11.pdb
QB_A13_A11.prmtop
QB_A13_A11_sys.xml
QB_A13_A11_therm.pdb
run.bat
run.sh
15:41:55 (15996): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:41:55 (15996): 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\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:\ProgramData\BOINC\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
18:55:44 (15996): C:/Windows/system32/cmd.exe exited; CPU time 11152.953125
18:55:44 (15996): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 192075189 bytes.
Dumping objects ->
{3835320} normal block at 0x000001B9EA9C7000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835309} normal block at 0x000001B9E8C64860, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000001B9E8C647F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835287} normal block at 0x000001B9E8C64780, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835276} normal block at 0x000001B9E8C64240, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835245} normal block at 0x000001B9EA9D7EE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000001B9EA9ED730, 102 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) : {3835231} normal block at 0x000001B9E8C5CC10, 8 bytes long.
Data: < Àè¹ > 00 00 C0 E8 B9 01 00 00
{3834590} normal block at 0x000001B9EA9EDCB0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001B9E8C5CF80, 8 bytes long.
Data: <ÐÔÄè¹ > D0 D4 C4 E8 B9 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B9E8C51E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B9E8C4F110, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001B9E8C64FE0, 16 bytes long.
Data: <8aÆè¹ > 38 61 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B9E8C65C60, 16 bytes long.
Data: < aÆè¹ > 10 61 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B9E8C605C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001B9E8C65620, 16 bytes long.
Data: <è`Æè¹ > E8 60 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B9E8C65C10, 16 bytes long.
Data: <À`Æè¹ > C0 60 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B9E8C64EA0, 16 bytes long.
Data: < `Æè¹ > 98 60 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B9E8C64E50, 16 bytes long.
Data: <p`Æè¹ > 70 60 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B9E8C645C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001B9E8C65710, 16 bytes long.
Data: < ²Äè¹ > 88 B2 C4 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B9E8C60500, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001B9E8C653A0, 16 bytes long.
Data: <`²Äè¹ > 60 B2 C4 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B9E8C65210, 16 bytes long.
Data: <8²Äè¹ > 38 B2 C4 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B9E8C65B70, 16 bytes long.
Data: < ²Äè¹ > 10 B2 C4 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B9E8C65DA0, 16 bytes long.
Data: <è±Äè¹ > E8 B1 C4 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B9E8C65170, 16 bytes long.
Data: <À±Äè¹ > C0 B1 C4 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B9E8C65D50, 16 bytes long.
Data: < ±Äè¹ > 98 B1 C4 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B9E8C604A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001B9E8C65030, 16 bytes long.
Data: <p±Äè¹ > 70 B1 C4 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B9E8C4B170, 320 bytes long.
Data: <0PÆè¹   Æè¹ > 30 50 C6 E8 B9 01 00 00 A0 04 C6 E8 B9 01 00 00
{273} normal block at 0x000001B9E8C65D00, 16 bytes long.
Data: <P`Æè¹ > 50 60 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B9E8C65AD0, 16 bytes long.
Data: <(`Æè¹ > 28 60 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B9E8C60EC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001B9E8C65350, 16 bytes long.
Data: < `Æè¹ > 00 60 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B9E8C60C80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001B9E8C65760, 16 bytes long.
Data: <H_Æè¹ > 48 5F C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B9E8C65B20, 16 bytes long.
Data: < _Æè¹ > 20 5F C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B9E8C65CB0, 16 bytes long.
Data: <ø^Æè¹ > F8 5E C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B9E8C65490, 16 bytes long.
Data: <Ð^Æè¹ > D0 5E C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B9E8C653F0, 16 bytes long.
Data: <¨^Æè¹ > A8 5E C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B9E8C65BC0, 16 bytes long.
Data: < ^Æè¹ > 80 5E C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B9E8C64EF0, 16 bytes long.
Data: <°BÆè¹ > B0 42 C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B9E8C642B0, 40 bytes long.
Data: <ðNÆè¹ à~ ê¹ > F0 4E C6 E8 B9 01 00 00 E0 7E 9D EA B9 01 00 00
{259} normal block at 0x000001B9E8C65A80, 16 bytes long.
Data: <`^Æè¹ > 60 5E C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B9E8C64F90, 16 bytes long.
Data: <8^Æè¹ > 38 5E C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B9E8C608C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001B9E8C65260, 16 bytes long.
Data: < ^Æè¹ > 10 5E C6 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B9E8C65E10, 992 bytes long.
Data: <`RÆè¹ À Æè¹ > 60 52 C6 E8 B9 01 00 00 C0 08 C6 E8 B9 01 00 00
{91} normal block at 0x000001B9E8C60380, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001B9E8C5D2A0, 16 bytes long.
Data: <`RÅè¹ > 60 52 C5 E8 B9 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001B9E8C55260, 40 bytes long.
Data: < ÒÅè¹ Æè¹ > A0 D2 C5 E8 B9 01 00 00 80 03 C6 E8 B9 01 00 00
{68} normal block at 0x000001B9E8C5D390, 16 bytes long.
Data: < ê —ö > 80 EA 02 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B9E8C5D340, 16 bytes long.
Data: <@é —ö > 40 E9 02 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B9E8C5CE90, 16 bytes long.
Data: <øWÿ–ö > F8 57 FF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B9E8C5D570, 16 bytes long.
Data: <ØWÿ–ö > D8 57 FF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B9E8C5CE40, 16 bytes long.
Data: <P ÿ–ö > 50 04 FF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B9E8C5D2F0, 16 bytes long.
Data: <0 ÿ–ö > 30 04 FF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B9E8C5CD50, 16 bytes long.
Data: <à ÿ–ö > E0 02 FF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B9E8C5DAC0, 16 bytes long.
Data: < ÿ–ö > 10 04 FF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B9E8C5DA70, 16 bytes long.
Data: <p ÿ–ö > 70 04 FF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B9E8C5D0C0, 16 bytes long.
Data: < Àý–ö > 18 C0 FD 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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