Task 38606588
| Name | hif2a_A18_A08_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a-0-6-RND0485_0 |
| Workunit | 31560365 |
| Created | 14 Apr 2026, 8:09:48 UTC |
| Sent | 14 Apr 2026, 8:12:12 UTC |
| Report deadline | 19 Apr 2026, 8:12:12 UTC |
| Received | 16 Apr 2026, 20:38:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 487743 |
| Run time | 5 hours 15 min 9 sec |
| CPU time | 5 hours 4 min 45 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,320.33 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 475.99 MB |
| Peak swap size | 12.44 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:24:32 (656): wrapper (7.9.26016): starting
17:24:32 (656): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A08_0.pdb
QB_A18_A08_0.xml
QB_A18_A08.inpcrd
QB_A18_A08_input.yaml
QB_A18_A08.pdb
QB_A18_A08.prmtop
QB_A18_A08_sys.xml
run.bat
run.sh
17:24:33 (656): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:24:33 (656): 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\22\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\22\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
22:38:11 (656): C:/Windows/system32/cmd.exe exited; CPU time 18285.750000
22:38:11 (656): 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: 287243477 bytes.
Dumping objects ->
{3835308} normal block at 0x0000022DD21EE500, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835297} normal block at 0x0000022DD21EE730, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835286} normal block at 0x0000022DD21EE340, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835275} normal block at 0x0000022DD21EE420, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835264} normal block at 0x0000022DD21C3310, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835233} normal block at 0x0000022DD3E7B710, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x0000022DD3E920C0, 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) : {3835219} normal block at 0x0000022DD21BDDF0, 8 bytes long.
Data: < sÒ- > 00 00 73 D2 2D 02 00 00
{3834585} normal block at 0x0000022DD3E92590, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000022DD21BD8A0, 8 bytes long.
Data: <à Ò- > E0 19 1B D2 2D 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000022DD21B6520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000022DD21B4D80, 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 0x0000022DD21C98A0, 16 bytes long.
Data: <XŸ Ò- > 58 9F 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022DD21C98F0, 16 bytes long.
Data: <0Ÿ Ò- > 30 9F 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022DD21C4C00, 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 0x0000022DD21C9B70, 16 bytes long.
Data: < Ÿ Ò- > 08 9F 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022DD21C8D60, 16 bytes long.
Data: <àž Ò- > E0 9E 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022DD21C8FE0, 16 bytes long.
Data: <¸ž Ò- > B8 9E 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022DD21C9760, 16 bytes long.
Data: < ž Ò- > 90 9E 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022DD21C3380, 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 0x0000022DD21C9B20, 16 bytes long.
Data: <(@ Ò- > 28 40 1B D2 2D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022DD21C4900, 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 0x0000022DD21C9710, 16 bytes long.
Data: < @ Ò- > 00 40 1B D2 2D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022DD21C8D10, 16 bytes long.
Data: <Ø? Ò- > D8 3F 1B D2 2D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022DD21C9940, 16 bytes long.
Data: <°? Ò- > B0 3F 1B D2 2D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022DD21C9850, 16 bytes long.
Data: < ? Ò- > 88 3F 1B D2 2D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022DD21C96C0, 16 bytes long.
Data: <`? Ò- > 60 3F 1B D2 2D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022DD21C9350, 16 bytes long.
Data: <8? Ò- > 38 3F 1B D2 2D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022DD21C4F00, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{280} normal block at 0x0000022DD21C8E50, 16 bytes long.
Data: < ? Ò- > 10 3F 1B D2 2D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022DD21B3F10, 320 bytes long.
Data: <PŽ Ò- O Ò- > 50 8E 1C D2 2D 02 00 00 00 4F 1C D2 2D 02 00 00
{278} normal block at 0x0000022DD21C8E00, 16 bytes long.
Data: <pž Ò- > 70 9E 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022DD21C8DB0, 16 bytes long.
Data: <Hž Ò- > 48 9E 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022DD21C5200, 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 0x0000022DD21C8F90, 16 bytes long.
Data: < ž Ò- > 20 9E 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022DD21C4BA0, 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 0x0000022DD21C9620, 16 bytes long.
Data: <h Ò- > 68 9D 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022DD21C9580, 16 bytes long.
Data: <@ Ò- > 40 9D 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022DD21C9530, 16 bytes long.
Data: < Ò- > 18 9D 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022DD21C9670, 16 bytes long.
Data: <ðœ Ò- > F0 9C 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022DD21C94E0, 16 bytes long.
Data: <Èœ Ò- > C8 9C 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022DD21C8F40, 16 bytes long.
Data: < œ Ò- > A0 9C 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022DD21C9A30, 16 bytes long.
Data: <02 Ò- > 30 32 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022DD21C3230, 40 bytes long.
Data: <0š Ò- ·çÓ- > 30 9A 1C D2 2D 02 00 00 10 B7 E7 D3 2D 02 00 00
{264} normal block at 0x0000022DD21C9440, 16 bytes long.
Data: < œ Ò- > 80 9C 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022DD21C9AD0, 16 bytes long.
Data: <Xœ Ò- > 58 9C 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022DD21C46C0, 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 0x0000022DD21C95D0, 16 bytes long.
Data: <0œ Ò- > 30 9C 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022DD21C9C30, 992 bytes long.
Data: <Е Ò- ÀF Ò- > D0 95 1C D2 2D 02 00 00 C0 46 1C D2 2D 02 00 00
{96} normal block at 0x0000022DD21C4960, 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 0x0000022DD21BD530, 16 bytes long.
Data: < 6 Ò- > 20 36 1C D2 2D 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000022DD21C3620, 40 bytes long.
Data: <0Õ Ò- `I Ò- > 30 D5 1B D2 2D 02 00 00 60 49 1C D2 2D 02 00 00
{73} normal block at 0x0000022DD21BD3A0, 16 bytes long.
Data: < êMô÷ > 80 EA 4D F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022DD21BDF80, 16 bytes long.
Data: <@éMô÷ > 40 E9 4D F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022DD21BD710, 16 bytes long.
Data: <øWJô÷ > F8 57 4A F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022DD21BD7B0, 16 bytes long.
Data: <ØWJô÷ > D8 57 4A F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022DD21BD440, 16 bytes long.
Data: <P Jô÷ > 50 04 4A F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022DD21BDF30, 16 bytes long.
Data: <0 Jô÷ > 30 04 4A F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022DD21BD350, 16 bytes long.
Data: <à Jô÷ > E0 02 4A F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022DD21BDD00, 16 bytes long.
Data: < Jô÷ > 10 04 4A F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022DD21BE110, 16 bytes long.
Data: <p Jô÷ > 70 04 4A F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022DD21BD6C0, 16 bytes long.
Data: < ÀHô÷ > 18 C0 48 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra