Task 38605697
| Name | tnks2_A25_A11_r0_5-QUICO_ATM_GAFF2_NAGL_TNKS2-4-6-RND8926_0 |
| Workunit | 31559534 |
| Created | 14 Apr 2026, 0:40:21 UTC |
| Sent | 14 Apr 2026, 0:40:26 UTC |
| Report deadline | 19 Apr 2026, 0:40:26 UTC |
| Received | 14 Apr 2026, 3:35:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648012 |
| Run time | 2 hours 43 min 27 sec |
| CPU time | 2 hours 42 min 43 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 26,737.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 559.06 MB |
| Peak swap size | 9.69 GB |
| Peak disk usage | 2.95 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:53:12 (42064): wrapper (7.9.26016): starting
17:53:12 (42064): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A11_0.pdb
QB_A25_A11_0.xml
QB_A25_A11.inpcrd
QB_A25_A11_input.yaml
QB_A25_A11.pdb
QB_A25_A11.prmtop
QB_A25_A11_sys.xml
run.bat
run.sh
17:53:14 (42064): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:53:14 (42064): 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
20:35:30 (42064): C:/Windows/system32/cmd.exe exited; CPU time 9763.937500
20:35:30 (42064): 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: 196852511 bytes.
Dumping objects ->
{3835428} normal block at 0x0000020BEB9C8370, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x0000020BEB9C87D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835406} normal block at 0x0000020BEB9C85A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835395} normal block at 0x0000020BEB9C8300, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x0000020BEB9C84C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835353} normal block at 0x0000020BED88CC90, 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) : {3835340} normal block at 0x0000020BEB9BDC10, 8 bytes long.
Data: < îë > 00 00 EE EB 0B 02 00 00
{3833957} normal block at 0x0000020BEB9BD800, 8 bytes long.
Data: < Êžë > 10 CA 9E EB 0B 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020BEB9B59E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020BEB9B4C60, 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 0x0000020BEB9C9680, 16 bytes long.
Data: <¸Ÿœë > B8 9F 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020BEB9C95E0, 16 bytes long.
Data: < Ÿœë > 90 9F 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020BEB9C48F0, 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 0x0000020BEB9C9180, 16 bytes long.
Data: <hŸœë > 68 9F 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020BEB9C9130, 16 bytes long.
Data: <@Ÿœë > 40 9F 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020BEB9C9630, 16 bytes long.
Data: < Ÿœë > 18 9F 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020BEB9C9590, 16 bytes long.
Data: <ðžœë > F0 9E 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020BEB9C83E0, 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 0x0000020BEB9C96D0, 16 bytes long.
Data: <X4ݑ > 58 34 9B EB 0B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020BEB9C46B0, 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 0x0000020BEB9C9540, 16 bytes long.
Data: <04ݑ > 30 34 9B EB 0B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020BEB9C9AE0, 16 bytes long.
Data: < 4ݑ > 08 34 9B EB 0B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020BEB9C8E10, 16 bytes long.
Data: <à3›ë > E0 33 9B EB 0B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020BEB9C8DC0, 16 bytes long.
Data: <¸3›ë > B8 33 9B EB 0B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020BEB9C9720, 16 bytes long.
Data: < 3ݑ > 90 33 9B EB 0B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020BEB9C9900, 16 bytes long.
Data: <h3ݑ > 68 33 9B EB 0B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020BEB9C43B0, 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 0x0000020BEB9C9A90, 16 bytes long.
Data: <@3ݑ > 40 33 9B EB 0B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020BEB9B3340, 320 bytes long.
Data: < šœë °Cœë > 90 9A 9C EB 0B 02 00 00 B0 43 9C EB 0B 02 00 00
{274} normal block at 0x0000020BEB9C9A40, 16 bytes long.
Data: <Оœë > D0 9E 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020BEB9C94F0, 16 bytes long.
Data: <¨žœë > A8 9E 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020BEB9C45F0, 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 0x0000020BEB9C9360, 16 bytes long.
Data: < žœë > 80 9E 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020BEB9C4B90, 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 0x0000020BEB9C9C20, 16 bytes long.
Data: <È œë > C8 9D 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020BEB9C9860, 16 bytes long.
Data: <  œë > A0 9D 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020BEB9C98B0, 16 bytes long.
Data: <x ϑ > 78 9D 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020BEB9C8CD0, 16 bytes long.
Data: <P ϑ > 50 9D 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020BEB9C94A0, 16 bytes long.
Data: <( ϑ > 28 9D 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020BEB9C8F00, 16 bytes long.
Data: < ϑ > 00 9D 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020BEB9C9450, 16 bytes long.
Data: <@ ϑ > 40 88 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020BEB9C8840, 40 bytes long.
Data: <P”œë Ì í > 50 94 9C EB 0B 02 00 00 90 CC 88 ED 0B 02 00 00
{260} normal block at 0x0000020BEB9C9400, 16 bytes long.
Data: <àœœë > E0 9C 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020BEB9C99F0, 16 bytes long.
Data: <¸œœë > B8 9C 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020BEB9C4710, 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 0x0000020BEB9C92C0, 16 bytes long.
Data: < œœë > 90 9C 9C EB 0B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020BEB9C9C90, 992 bytes long.
Data: <À’œë Gœë > C0 92 9C EB 0B 02 00 00 10 47 9C EB 0B 02 00 00
{92} normal block at 0x0000020BEB9C4FB0, 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 0x0000020BEB9BDBC0, 16 bytes long.
Data: <Pðšë > 50 F0 9A EB 0B 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000020BEB9AF050, 40 bytes long.
Data: <ÀÛ›ë °Oœë > C0 DB 9B EB 0B 02 00 00 B0 4F 9C EB 0B 02 00 00
{69} normal block at 0x0000020BEB9BE0C0, 16 bytes long.
Data: < ê?|ö > 80 EA 3F 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020BEB9BD7B0, 16 bytes long.
Data: <@é?|ö > 40 E9 3F 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020BEB9BD760, 16 bytes long.
Data: <øW<|ö > F8 57 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020BEB9BDC60, 16 bytes long.
Data: <ØW<|ö > D8 57 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020BEB9BD940, 16 bytes long.
Data: <P <|ö > 50 04 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020BEB9BE070, 16 bytes long.
Data: <0 <|ö > 30 04 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020BEB9BD8F0, 16 bytes long.
Data: <à <|ö > E0 02 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020BEB9BD440, 16 bytes long.
Data: < <|ö > 10 04 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020BEB9BD3F0, 16 bytes long.
Data: <p <|ö > 70 04 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020BEB9BE020, 16 bytes long.
Data: < À:|ö > 18 C0 3A 7C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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