Task 38617428
| Name | HIF2A_2_A39_A14_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-1-6-RND7422_2 |
| Workunit | 31569025 |
| Created | 18 Apr 2026, 4:19:10 UTC |
| Sent | 18 Apr 2026, 4:19:18 UTC |
| Report deadline | 23 Apr 2026, 4:19:18 UTC |
| Received | 18 Apr 2026, 13:06:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629577 |
| Run time | 1 hours 37 min 58 sec |
| CPU time | 1 hours 28 min 18 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 53,463.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 490.79 MB |
| Peak swap size | 9.62 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
07:28:42 (21296): wrapper (7.9.26016): starting
07:28:42 (21296): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A14_0.pdb
QB_A39_A14_0.xml
QB_A39_A14.inpcrd
QB_A39_A14_input.yaml
QB_A39_A14.pdb
QB_A39_A14.prmtop
QB_A39_A14_sys.xml
run.bat
run.sh
07:28:43 (21296): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:28:43 (21296): 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\15\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\15\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
09:06:03 (21296): C:/Windows/system32/cmd.exe exited; CPU time 5298.062500
09:06:03 (21296): 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: 118488545 bytes.
Dumping objects ->
{3835547} normal block at 0x0000019FB3F154F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835536} normal block at 0x0000019FB3F15480, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x0000019FB3F153A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835514} normal block at 0x0000019FB3F15330, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x0000019FB3F15100, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835472} normal block at 0x0000019FB5CBA9B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835461} normal block at 0x0000019FB5CCECC0, 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) : {3835458} normal block at 0x0000019FB3F0E5E0, 8 bytes long.
Data: < ѵ٠> 00 00 97 B5 9F 01 00 00
{3834685} normal block at 0x0000019FB5CCEC10, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000019FB3F0DBE0, 8 bytes long.
Data: <Pë¼µŸ > 50 EB BC B5 9F 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019FB3F01F50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019FB3EFFDA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000019FB3F16150, 16 bytes long.
Data: <Xmñ³Ÿ > 58 6D F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019FB3F16010, 16 bytes long.
Data: <0mñ³Ÿ > 30 6D F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019FB3F10560, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000019FB3F15FC0, 16 bytes long.
Data: < mñ³Ÿ > 08 6D F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019FB3F16060, 16 bytes long.
Data: <àlñ³Ÿ > E0 6C F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019FB3F16650, 16 bytes long.
Data: <¸lñ³Ÿ > B8 6C F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019FB3F15CA0, 16 bytes long.
Data: < lñ³Ÿ > 90 6C F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019FB3F14F40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000019FB3F16100, 16 bytes long.
Data: <è 𳟠> E8 0D F0 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019FB3F10680, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000019FB3F15C50, 16 bytes long.
Data: <À 𳟠> C0 0D F0 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019FB3F15C00, 16 bytes long.
Data: < 𳟠> 98 0D F0 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019FB3F15BB0, 16 bytes long.
Data: <p 𳟠> 70 0D F0 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019FB3F15B60, 16 bytes long.
Data: <H 𳟠> 48 0D F0 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019FB3F15B10, 16 bytes long.
Data: < 𳟠> 20 0D F0 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019FB3F160B0, 16 bytes long.
Data: <ø 𳟠> F8 0C F0 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019FB3F0FDE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000019FB3F15F70, 16 bytes long.
Data: <Р𳟠> D0 0C F0 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019FB3F00CD0, 320 bytes long.
Data: <p_ñ³Ÿ àý𳟠> 70 5F F1 B3 9F 01 00 00 E0 FD F0 B3 9F 01 00 00
{277} normal block at 0x0000019FB3F161F0, 16 bytes long.
Data: <plñ³Ÿ > 70 6C F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019FB3F161A0, 16 bytes long.
Data: <Hlñ³Ÿ > 48 6C F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019FB3F0FD80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000019FB3F166A0, 16 bytes long.
Data: < lñ³Ÿ > 20 6C F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019FB3F0FFC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000019FB3F16790, 16 bytes long.
Data: <hkñ³Ÿ > 68 6B F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019FB3F15AC0, 16 bytes long.
Data: <@kñ³Ÿ > 40 6B F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019FB3F15F20, 16 bytes long.
Data: < kñ³Ÿ > 18 6B F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019FB3F168D0, 16 bytes long.
Data: <ðjñ³Ÿ > F0 6A F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019FB3F15D90, 16 bytes long.
Data: <Èjñ³Ÿ > C8 6A F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019FB3F16560, 16 bytes long.
Data: < jñ³Ÿ > A0 6A F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019FB3F169C0, 16 bytes long.
Data: <`Nñ³Ÿ > 60 4E F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019FB3F14E60, 40 bytes long.
Data: <Àiñ³Ÿ °©ËµŸ > C0 69 F1 B3 9F 01 00 00 B0 A9 CB B5 9F 01 00 00
{263} normal block at 0x0000019FB3F15A70, 16 bytes long.
Data: < jñ³Ÿ > 80 6A F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019FB3F16240, 16 bytes long.
Data: <Xjñ³Ÿ > 58 6A F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019FB3F10440, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000019FB3F16380, 16 bytes long.
Data: <0jñ³Ÿ > 30 6A F1 B3 9F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019FB3F16A30, 992 bytes long.
Data: < cñ³Ÿ @ ñ³Ÿ > 80 63 F1 B3 9F 01 00 00 40 04 F1 B3 9F 01 00 00
{95} normal block at 0x0000019FB3F0FAE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000019FB3F0E1D0, 16 bytes long.
Data: < Éﳟ > A0 C9 EF B3 9F 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000019FB3EFC9A0, 40 bytes long.
Data: <Ðá𳟠àú𳟠> D0 E1 F0 B3 9F 01 00 00 E0 FA F0 B3 9F 01 00 00
{72} normal block at 0x0000019FB3F0E220, 16 bytes long.
Data: < ê2yö > 80 EA 32 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019FB3F0D910, 16 bytes long.
Data: <@é2yö > 40 E9 32 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019FB3F0DEB0, 16 bytes long.
Data: <øW/yö > F8 57 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019FB3F0DF50, 16 bytes long.
Data: <ØW/yö > D8 57 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019FB3F0E450, 16 bytes long.
Data: <P /yö > 50 04 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019FB3F0D870, 16 bytes long.
Data: <0 /yö > 30 04 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019FB3F0DB90, 16 bytes long.
Data: <à /yö > E0 02 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019FB3F0E180, 16 bytes long.
Data: < /yö > 10 04 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019FB3F0E040, 16 bytes long.
Data: <p /yö > 70 04 2F 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019FB3F0DE10, 16 bytes long.
Data: < À-yö > 18 C0 2D 79 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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