Task 38581765
| Name | HIF2A_A24_A13_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND8920_0 |
| Workunit | 31546198 |
| Created | 12 Dec 2025, 14:37:24 UTC |
| Sent | 12 Dec 2025, 14:37:36 UTC |
| Report deadline | 17 Dec 2025, 14:37:36 UTC |
| Received | 12 Dec 2025, 17:50:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605313 |
| Run time | 3 hours 3 min 13 sec |
| CPU time | 3 hours 3 min 13 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 11,251.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 474.11 MB |
| Peak swap size | 9.47 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:49:18 (29040): wrapper (7.9.26016): starting
08:49:18 (29040): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A13_0.pdb
QB_A24_A13_0.xml
QB_A24_A13_equil.pdb
QB_A24_A13.inpcrd
QB_A24_A13_input.yaml
QB_A24_A13_mdlambda.pdb
QB_A24_A13_min.pdb
QB_A24_A13_npt.pdb
QB_A24_A13.pdb
QB_A24_A13.prmtop
QB_A24_A13_sys.xml
QB_A24_A13_therm.pdb
run.bat
run.sh
08:49:19 (29040): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:49:19 (29040): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
11:53:10 (29040): C:/Windows/system32/cmd.exe exited; CPU time 10993.546875
11:53:10 (29040): 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: 247094205 bytes.
Dumping objects ->
{3835219} normal block at 0x000001F398CEAFD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x000001F398CEB6D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000001F398CEAF60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x000001F398CEB190, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000001F398CEB270, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x000001F39A9DD790, 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) : {3835131} normal block at 0x000001F398CBE670, 8 bytes long.
Data: < Ã ó > 00 00 C3 98 F3 01 00 00
{3833973} normal block at 0x000001F398CBE620, 8 bytes long.
Data: <0ßÊ ó > 30 DF CA 98 F3 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001F398CB1E60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001F398CB2F50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001F398CC7B30, 16 bytes long.
Data: < †Ì ó > 98 86 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F398CC75E0, 16 bytes long.
Data: <p†Ì ó > 70 86 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F398CC0930, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001F398CC7A90, 16 bytes long.
Data: <H†Ì ó > 48 86 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F398CC74F0, 16 bytes long.
Data: < †Ì ó > 20 86 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F398CC78B0, 16 bytes long.
Data: <ø…Ì ó > F8 85 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F398CC7450, 16 bytes long.
Data: <Ð…Ì ó > D0 85 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F398CC2BF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001F398CC7A40, 16 bytes long.
Data: < úÊ ó > 88 FA CA 98 F3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F398CC0B10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001F398CC7F40, 16 bytes long.
Data: <`úÊ ó > 60 FA CA 98 F3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F398CC7680, 16 bytes long.
Data: <8úÊ ó > 38 FA CA 98 F3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F398CC7720, 16 bytes long.
Data: < úÊ ó > 10 FA CA 98 F3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F398CC7EA0, 16 bytes long.
Data: <èùÊ ó > E8 F9 CA 98 F3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F398CC7D10, 16 bytes long.
Data: <ÀùÊ ó > C0 F9 CA 98 F3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F398CC79A0, 16 bytes long.
Data: < ùÊ ó > 98 F9 CA 98 F3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F398CC0DB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001F398CC76D0, 16 bytes long.
Data: <pùÊ ó > 70 F9 CA 98 F3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F398CAF970, 320 bytes long.
Data: <ÐvÌ ó ° Ì ó > D0 76 CC 98 F3 01 00 00 B0 0D CC 98 F3 01 00 00
{282} normal block at 0x000001F398CC7CC0, 16 bytes long.
Data: <°…Ì ó > B0 85 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F398CC7EF0, 16 bytes long.
Data: < …Ì ó > 88 85 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F398CC0C90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001F398CC7400, 16 bytes long.
Data: <`…Ì ó > 60 85 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F398CC01B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001F398CC8300, 16 bytes long.
Data: <¨„Ì ó > A8 84 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F398CC73B0, 16 bytes long.
Data: < „Ì ó > 80 84 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F398CC7AE0, 16 bytes long.
Data: <X„Ì ó > 58 84 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F398CC79F0, 16 bytes long.
Data: <0„Ì ó > 30 84 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F398CC77C0, 16 bytes long.
Data: < „Ì ó > 08 84 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F398CC7DB0, 16 bytes long.
Data: <àƒÌ ó > E0 83 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F398CC7C70, 16 bytes long.
Data: <À)Ì ó > C0 29 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F398CC29C0, 40 bytes long.
Data: <p|Ì ó × šó > 70 7C CC 98 F3 01 00 00 90 D7 9D 9A F3 01 00 00
{268} normal block at 0x000001F398CC7BD0, 16 bytes long.
Data: <ÀƒÌ ó > C0 83 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F398CC7C20, 16 bytes long.
Data: < ƒÌ ó > 98 83 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F398CC0A50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001F398CC82B0, 16 bytes long.
Data: <pƒÌ ó > 70 83 CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F398CC8370, 992 bytes long.
Data: <°‚Ì ó P Ì ó > B0 82 CC 98 F3 01 00 00 50 0A CC 98 F3 01 00 00
{100} normal block at 0x000001F398CC0690, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001F398CBE760, 16 bytes long.
Data: < +Ì ó > 10 2B CC 98 F3 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001F398CC2B10, 40 bytes long.
Data: <`çË ó Ì ó > 60 E7 CB 98 F3 01 00 00 90 06 CC 98 F3 01 00 00
{77} normal block at 0x000001F398CBE5D0, 16 bytes long.
Data: < êq»÷ > 80 EA 71 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001F398CBEA80, 16 bytes long.
Data: <@éq»÷ > 40 E9 71 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001F398CBE990, 16 bytes long.
Data: <øWn»÷ > F8 57 6E BB F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F398CBDC20, 16 bytes long.
Data: <ØWn»÷ > D8 57 6E BB F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F398CBE210, 16 bytes long.
Data: <P n»÷ > 50 04 6E BB F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F398CBE580, 16 bytes long.
Data: <0 n»÷ > 30 04 6E BB F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F398CBE7B0, 16 bytes long.
Data: <à n»÷ > E0 02 6E BB F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F398CBEB20, 16 bytes long.
Data: < n»÷ > 10 04 6E BB F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F398CBDFE0, 16 bytes long.
Data: <p n»÷ > 70 04 6E BB F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F398CBE490, 16 bytes long.
Data: < Àl»÷ > 18 C0 6C BB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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