| Name | p38_2_A02_A10_r0_1-QUICO_ATM_OpenFF_NAGL_p38_2-5-6-RND5988_0 |
| Workunit | 31574289 |
| Created | 21 Apr 2026, 20:51:46 UTC |
| Sent | 21 Apr 2026, 20:51:51 UTC |
| Report deadline | 26 Apr 2026, 20:51:51 UTC |
| Received | 22 Apr 2026, 6:02:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638061 |
| Run time | 5 hours 58 min 20 sec |
| CPU time | 5 hours 58 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,398.56 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 692.65 MB |
| Peak swap size | 12.89 GB |
| Peak disk usage | 3.08 GB |
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:03:02 (7416): wrapper (7.9.26016): starting
19:03:02 (7416): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A10_0.pdb
QB_A02_A10_0.xml
QB_A02_A10.inpcrd
QB_A02_A10_input.yaml
QB_A02_A10.pdb
QB_A02_A10.prmtop
QB_A02_A10_sys.xml
run.bat
run.sh
19:03:04 (7416): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:03:04 (7416): 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
00:58:43 (7416): C:/Windows/system32/cmd.exe exited; CPU time 21500.109375
00:58:43 (7416): 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: 325560059 bytes.
Dumping objects ->
{3835227} normal block at 0x000001CD42C14820, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835216} normal block at 0x000001CD42C146D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x000001CD42C14C80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835194} normal block at 0x000001CD42C14C10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x000001CD42C14660, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835152} normal block at 0x000001CD448F4B00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835141} normal block at 0x000001CD4490E930, 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) : {3835138} normal block at 0x000001CD42C0D6D0, 8 bytes long.
Data: < CÍ > 00 00 16 43 CD 01 00 00
{3834536} normal block at 0x000001CD4490EBF0, 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 0x000001CD42C0DB30, 8 bytes long.
Data: <PÖ¿BÍ > 50 D6 BF 42 CD 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001CD42C00B30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CD42C022C0, 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 0x000001CD42C15780, 16 bytes long.
Data: <xdÁBÍ > 78 64 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CD42C15AA0, 16 bytes long.
Data: <PdÁBÍ > 50 64 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CD42C10F60, 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 0x000001CD42C155A0, 16 bytes long.
Data: <(dÁBÍ > 28 64 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CD42C15370, 16 bytes long.
Data: < dÁBÍ > 00 64 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CD42C15870, 16 bytes long.
Data: <ØcÁBÍ > D8 63 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CD42C153C0, 16 bytes long.
Data: <°cÁBÍ > B0 63 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CD42C14740, 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 0x000001CD42C15730, 16 bytes long.
Data: < í¿BÍ > 18 ED BF 42 CD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CD42C11380, 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 0x000001CD42C15E10, 16 bytes long.
Data: <ðì¿BÍ > F0 EC BF 42 CD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CD42C15A50, 16 bytes long.
Data: <Èì¿BÍ > C8 EC BF 42 CD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CD42C15500, 16 bytes long.
Data: < ì¿BÍ > A0 EC BF 42 CD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CD42C15320, 16 bytes long.
Data: <xì¿BÍ > 78 EC BF 42 CD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CD42C158C0, 16 bytes long.
Data: <Pì¿BÍ > 50 EC BF 42 CD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CD42C15B40, 16 bytes long.
Data: <(ì¿BÍ > 28 EC BF 42 CD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CD42C10CC0, 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 0x000001CD42C15280, 16 bytes long.
Data: < ì¿BÍ > 00 EC BF 42 CD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CD42BFEC00, 320 bytes long.
Data: < RÁBÍ À ÁBÍ > 80 52 C1 42 CD 01 00 00 C0 0C C1 42 CD 01 00 00
{273} normal block at 0x000001CD42C15690, 16 bytes long.
Data: < cÁBÍ > 90 63 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CD42C15460, 16 bytes long.
Data: <hcÁBÍ > 68 63 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CD42C10F00, 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 0x000001CD42C15F50, 16 bytes long.
Data: <@cÁBÍ > 40 63 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CD42C10960, 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 0x000001CD42C15190, 16 bytes long.
Data: < bÁBÍ > 88 62 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CD42C160E0, 16 bytes long.
Data: <`bÁBÍ > 60 62 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CD42C15A00, 16 bytes long.
Data: <8bÁBÍ > 38 62 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CD42C15F00, 16 bytes long.
Data: < bÁBÍ > 10 62 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CD42C15640, 16 bytes long.
Data: <èaÁBÍ > E8 61 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CD42C15550, 16 bytes long.
Data: <ÀaÁBÍ > C0 61 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CD42C15D70, 16 bytes long.
Data: < IÁBÍ > 00 49 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CD42C14900, 40 bytes long.
Data: <p]ÁBÍ K DÍ > 70 5D C1 42 CD 01 00 00 00 4B 8F 44 CD 01 00 00
{259} normal block at 0x000001CD42C159B0, 16 bytes long.
Data: < aÁBÍ > A0 61 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CD42C156E0, 16 bytes long.
Data: <xaÁBÍ > 78 61 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CD42C10FC0, 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 0x000001CD42C16090, 16 bytes long.
Data: <PaÁBÍ > 50 61 C1 42 CD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001CD42C16150, 992 bytes long.
Data: < `ÁBÍ À ÁBÍ > 90 60 C1 42 CD 01 00 00 C0 0F C1 42 CD 01 00 00
{91} normal block at 0x000001CD42C114A0, 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 0x000001CD42C0D4A0, 16 bytes long.
Data: < ÀBÍ > 90 02 C0 42 CD 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001CD42C00290, 40 bytes long.
Data: < ÔÀBÍ   ÁBÍ > A0 D4 C0 42 CD 01 00 00 A0 14 C1 42 CD 01 00 00
{68} normal block at 0x000001CD42C0D040, 16 bytes long.
Data: < ê g÷ > 80 EA 02 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CD42C0D400, 16 bytes long.
Data: <@é g÷ > 40 E9 02 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CD42C0DD60, 16 bytes long.
Data: <øWÿf÷ > F8 57 FF 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CD42C0D860, 16 bytes long.
Data: <ØWÿf÷ > D8 57 FF 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CD42C0DCC0, 16 bytes long.
Data: <P ÿf÷ > 50 04 FF 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CD42C0D5E0, 16 bytes long.
Data: <0 ÿf÷ > 30 04 FF 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CD42C0DA40, 16 bytes long.
Data: <à ÿf÷ > E0 02 FF 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CD42C0CFF0, 16 bytes long.
Data: < ÿf÷ > 10 04 FF 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CD42C0D450, 16 bytes long.
Data: <p ÿf÷ > 70 04 FF 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CD42C0DA90, 16 bytes long.
Data: < Àýf÷ > 18 C0 FD 66 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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