Task 38622414
| Name | HIF2A_2_A02_A17_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-5-6-RND8303_1 |
| Workunit | 31573178 |
| Created | 20 Apr 2026, 17:47:31 UTC |
| Sent | 20 Apr 2026, 17:47:36 UTC |
| Report deadline | 25 Apr 2026, 17:47:36 UTC |
| Received | 22 Apr 2026, 0:26:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 608298 |
| Run time | 5 hours 8 min 58 sec |
| CPU time | 5 hours 8 min 58 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,507.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 442.30 MB |
| Peak swap size | 9.54 GB |
| Peak disk usage | 3.71 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:18:13 (25512): wrapper (7.9.26016): starting
22:18:13 (25512): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A17_0.pdb
QB_A02_A17_0.xml
QB_A02_A17.inpcrd
QB_A02_A17_input.yaml
QB_A02_A17.pdb
QB_A02_A17.prmtop
QB_A02_A17_sys.xml
run.bat
run.sh
22:18:15 (25512): Library/usr/bin/tar.exe exited; CPU time 0.031250
22:18:15 (25512): 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
03:25:38 (25512): C:/Windows/system32/cmd.exe exited; CPU time 18538.281250
03:25:38 (25512): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 311379215 bytes.
Dumping objects ->
{3835593} normal block at 0x00000162B9898230, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835582} normal block at 0x00000162B9897B30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835571} normal block at 0x00000162B9897AC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835560} normal block at 0x00000162B9897DD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835549} normal block at 0x00000162B7A07B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835518} normal block at 0x00000162B980D8E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835507} normal block at 0x00000162B79F50B0, 255 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) : {3835504} normal block at 0x00000162B79FE710, 8 bytes long.
Data: < ›·b > 00 00 9B B7 62 01 00 00
{3834720} normal block at 0x00000162B79F5470, 255 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 0x00000162B79FDF90, 8 bytes long.
Data: <pçq b > 70 E7 71 B9 62 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000162B79F51F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000162B79F56C0, 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 0x00000162B7A09980, 16 bytes long.
Data: < ¤ ·b > 98 A4 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000162B7A09930, 16 bytes long.
Data: <p¤ ·b > 70 A4 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000162B7A038E0, 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 0x00000162B7A09DE0, 16 bytes long.
Data: <H¤ ·b > 48 A4 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000162B7A09570, 16 bytes long.
Data: < ¤ ·b > 20 A4 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000162B7A09F70, 16 bytes long.
Data: <ø£ ·b > F8 A3 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000162B7A09480, 16 bytes long.
Data: <У ·b > D0 A3 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000162B7A07C60, 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 0x00000162B7A093E0, 16 bytes long.
Data: < 3Ÿ·b > 18 33 9F B7 62 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000162B7A02F20, 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 0x00000162B7A09390, 16 bytes long.
Data: <ð2Ÿ·b > F0 32 9F B7 62 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000162B7A097A0, 16 bytes long.
Data: <È2Ÿ·b > C8 32 9F B7 62 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000162B7A09B60, 16 bytes long.
Data: < 2Ÿ·b > A0 32 9F B7 62 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000162B7A09610, 16 bytes long.
Data: <x2Ÿ·b > 78 32 9F B7 62 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000162B7A09ED0, 16 bytes long.
Data: <P2Ÿ·b > 50 32 9F B7 62 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000162B7A09250, 16 bytes long.
Data: <(2Ÿ·b > 28 32 9F B7 62 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000162B7A02EC0, 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 0x00000162B7A092F0, 16 bytes long.
Data: < 2Ÿ·b > 00 32 9F B7 62 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000162B79F3200, 320 bytes long.
Data: <ð’ ·b À. ·b > F0 92 A0 B7 62 01 00 00 C0 2E A0 B7 62 01 00 00
{277} normal block at 0x00000162B7A0A010, 16 bytes long.
Data: <°£ ·b > B0 A3 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000162B7A092A0, 16 bytes long.
Data: < £ ·b > 88 A3 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000162B7A03340, 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 0x00000162B7A09430, 16 bytes long.
Data: <`£ ·b > 60 A3 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000162B7A03820, 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 0x00000162B7A098E0, 16 bytes long.
Data: <¨¢ ·b > A8 A2 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000162B7A09AC0, 16 bytes long.
Data: <€¢ ·b > 80 A2 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000162B7A09C00, 16 bytes long.
Data: <X¢ ·b > 58 A2 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000162B7A09890, 16 bytes long.
Data: <0¢ ·b > 30 A2 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000162B7A09C50, 16 bytes long.
Data: < ¢ ·b > 08 A2 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000162B7A09520, 16 bytes long.
Data: <à¡ ·b > E0 A1 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000162B7A094D0, 16 bytes long.
Data: <`u ·b > 60 75 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000162B7A07560, 40 bytes long.
Data: <Д ·b àØ€ b > D0 94 A0 B7 62 01 00 00 E0 D8 80 B9 62 01 00 00
{263} normal block at 0x00000162B7A09700, 16 bytes long.
Data: <À¡ ·b > C0 A1 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000162B7A09B10, 16 bytes long.
Data: < ¡ ·b > 98 A1 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000162B7A03100, 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 0x00000162B7A097F0, 16 bytes long.
Data: <p¡ ·b > 70 A1 A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000162B7A0A170, 992 bytes long.
Data: <ð— ·b 1 ·b > F0 97 A0 B7 62 01 00 00 00 31 A0 B7 62 01 00 00
{95} normal block at 0x00000162B7A02E60, 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 0x00000162B79FE530, 16 bytes long.
Data: <€{ ·b > 80 7B A0 B7 62 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000162B7A07B80, 40 bytes long.
Data: <0執b `. ·b > 30 E5 9F B7 62 01 00 00 60 2E A0 B7 62 01 00 00
{72} normal block at 0x00000162B79FE300, 16 bytes long.
Data: <€êã ÷ > 80 EA E3 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000162B79FDC20, 16 bytes long.
Data: <@éã ÷ > 40 E9 E3 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000162B79FDFE0, 16 bytes long.
Data: <øWà ÷ > F8 57 E0 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000162B79FE0D0, 16 bytes long.
Data: <ØWà ÷ > D8 57 E0 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000162B79FDEF0, 16 bytes long.
Data: <P à ÷ > 50 04 E0 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000162B79FE4E0, 16 bytes long.
Data: <0 à ÷ > 30 04 E0 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000162B79FDBD0, 16 bytes long.
Data: <à à ÷ > E0 02 E0 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000162B79FE1C0, 16 bytes long.
Data: < à ÷ > 10 04 E0 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000162B79FE440, 16 bytes long.
Data: <p à ÷ > 70 04 E0 11 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000162B79FE3F0, 16 bytes long.
Data: < ÀÞ ÷ > 18 C0 DE 11 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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