Task 38583246
| Name | HIF2A_A39_A28_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND3556_0 |
| Workunit | 31547409 |
| Created | 13 Dec 2025, 23:33:01 UTC |
| Sent | 13 Dec 2025, 23:33:02 UTC |
| Report deadline | 18 Dec 2025, 23:33:02 UTC |
| Received | 14 Dec 2025, 7:36:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 615534 |
| Run time | 3 hours 19 min 18 sec |
| CPU time | 3 hours 4 min 38 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,067.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 448.61 MB |
| Peak swap size | 3.40 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:17:51 (11272): wrapper (7.9.26016): starting
05:17:51 (11272): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A28_0.pdb
QB_A39_A28_0.xml
QB_A39_A28_equil.pdb
QB_A39_A28.inpcrd
QB_A39_A28_input.yaml
QB_A39_A28_mdlambda.pdb
QB_A39_A28_min.pdb
QB_A39_A28_npt.pdb
QB_A39_A28.pdb
QB_A39_A28.prmtop
QB_A39_A28_sys.xml
QB_A39_A28_therm.pdb
run.bat
run.sh
05:17:53 (11272): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:17:53 (11272): 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\6\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\6\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
08:35:48 (11272): C:/Windows/system32/cmd.exe exited; CPU time 11078.031250
08:35:48 (11272): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 155008521 bytes.
Dumping objects ->
{3835309} normal block at 0x000001CB9A7BC490, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000001CB9A7BC340, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000001CB98B547A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000001CB98B54C70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001CB98B54730, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000001CB9A808380, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001CB98BB9440, 141 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) : {3835220} normal block at 0x000001CB98B4CBD0, 8 bytes long.
Data: < ø Ë > 00 00 F8 98 CB 01 00 00
{3834573} normal block at 0x000001CB98BB9850, 141 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 0x000001CB98B4D9E0, 8 bytes long.
Data: < Ô³ Ë > 00 D4 B3 98 CB 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001CB98B41C10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CB98B3EE10, 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 0x000001CB98B55270, 16 bytes long.
Data: <hdµ Ë > 68 64 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CB98B560D0, 16 bytes long.
Data: <@dµ Ë > 40 64 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CB98B50F30, 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 0x000001CB98B55220, 16 bytes long.
Data: < dµ Ë > 18 64 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CB98B55C20, 16 bytes long.
Data: <ðcµ Ë > F0 63 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CB98B55D10, 16 bytes long.
Data: <Ècµ Ë > C8 63 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CB98B55720, 16 bytes long.
Data: < cµ Ë > A0 63 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CB98B54880, 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 0x000001CB98B55BD0, 16 bytes long.
Data: < ´ Ë > 18 12 B4 98 CB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CB98B50C30, 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 0x000001CB98B55B80, 16 bytes long.
Data: <ð ´ Ë > F0 11 B4 98 CB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CB98B55360, 16 bytes long.
Data: <È ´ Ë > C8 11 B4 98 CB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CB98B55A40, 16 bytes long.
Data: <  ´ Ë > A0 11 B4 98 CB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CB98B55950, 16 bytes long.
Data: <x ´ Ë > 78 11 B4 98 CB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CB98B55900, 16 bytes long.
Data: <P ´ Ë > 50 11 B4 98 CB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CB98B55CC0, 16 bytes long.
Data: <( ´ Ë > 28 11 B4 98 CB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CB98B50AB0, 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 0x000001CB98B55E50, 16 bytes long.
Data: < ´ Ë > 00 11 B4 98 CB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CB98B41100, 320 bytes long.
Data: <P^µ Ë ° µ Ë > 50 5E B5 98 CB 01 00 00 B0 0A B5 98 CB 01 00 00
{273} normal block at 0x000001CB98B55EA0, 16 bytes long.
Data: < cµ Ë > 80 63 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CB98B55590, 16 bytes long.
Data: <Xcµ Ë > 58 63 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CB98B50690, 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 0x000001CB98B55B30, 16 bytes long.
Data: <0cµ Ë > 30 63 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CB98B50A50, 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 0x000001CB98B55860, 16 bytes long.
Data: <xbµ Ë > 78 62 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CB98B55450, 16 bytes long.
Data: <Pbµ Ë > 50 62 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CB98B56030, 16 bytes long.
Data: <(bµ Ë > 28 62 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CB98B56080, 16 bytes long.
Data: < bµ Ë > 00 62 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CB98B55630, 16 bytes long.
Data: <Øaµ Ë > D8 61 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CB98B554A0, 16 bytes long.
Data: <°aµ Ë > B0 61 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CB98B55C70, 16 bytes long.
Data: <àEµ Ë > E0 45 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CB98B545E0, 40 bytes long.
Data: <p\µ Ë ƒ šË > 70 5C B5 98 CB 01 00 00 80 83 80 9A CB 01 00 00
{259} normal block at 0x000001CB98B558B0, 16 bytes long.
Data: < aµ Ë > 90 61 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CB98B55FE0, 16 bytes long.
Data: <haµ Ë > 68 61 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CB98B50270, 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 0x000001CB98B559A0, 16 bytes long.
Data: <@aµ Ë > 40 61 B5 98 CB 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001CB98B56140, 992 bytes long.
Data: < Yµ Ë p µ Ë > A0 59 B5 98 CB 01 00 00 70 02 B5 98 CB 01 00 00
{91} normal block at 0x000001CB98B50630, 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 0x000001CB98B4D3A0, 16 bytes long.
Data: <pó Ë > 70 C3 B3 98 CB 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001CB98B3C370, 40 bytes long.
Data: < Ó´ Ë 0 µ Ë > A0 D3 B4 98 CB 01 00 00 30 06 B5 98 CB 01 00 00
{68} normal block at 0x000001CB98B4D850, 16 bytes long.
Data: < êGÙ÷ > 80 EA 47 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CB98B4D300, 16 bytes long.
Data: <@éGÙ÷ > 40 E9 47 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CB98B4D350, 16 bytes long.
Data: <øWDÙ÷ > F8 57 44 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CB98B4D940, 16 bytes long.
Data: <ØWDÙ÷ > D8 57 44 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CB98B4CD60, 16 bytes long.
Data: <P DÙ÷ > 50 04 44 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CB98B4D7B0, 16 bytes long.
Data: <0 DÙ÷ > 30 04 44 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CB98B4D3F0, 16 bytes long.
Data: <à DÙ÷ > E0 02 44 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CB98B4CF40, 16 bytes long.
Data: < DÙ÷ > 10 04 44 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CB98B4D8F0, 16 bytes long.
Data: <p DÙ÷ > 70 04 44 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CB98B4D530, 16 bytes long.
Data: < ÀBÙ÷ > 18 C0 42 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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