Task 38614506
| Name | hif2a_2_A04_A15_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND2665_0 |
| Workunit | 31566869 |
| Created | 17 Apr 2026, 13:38:52 UTC |
| Sent | 17 Apr 2026, 13:39:35 UTC |
| Report deadline | 22 Apr 2026, 13:39:35 UTC |
| Received | 17 Apr 2026, 20:25:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649791 |
| Run time | 6 hours 19 min 14 sec |
| CPU time | 6 hours 19 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 35,949.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 504.24 MB |
| Peak swap size | 24.72 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:16:32 (16528): wrapper (7.9.26016): starting
16:16:32 (16528): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A15_0.pdb
QB_A04_A15_0.xml
QB_A04_A15.inpcrd
QB_A04_A15_input.yaml
QB_A04_A15.pdb
QB_A04_A15.prmtop
QB_A04_A15_sys.xml
run.bat
run.sh
16:16:33 (16528): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:16:33 (16528): 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\2\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\2\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
22:25:19 (16528): C:/Windows/system32/cmd.exe exited; CPU time 22754.562500
22:25:19 (16528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 410668305 bytes.
Dumping objects ->
{3835225} normal block at 0x0000025E59036510, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x0000025E590364A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x0000025E590360B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835192} normal block at 0x0000025E59035D30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835181} normal block at 0x0000025E5900E7C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835150} normal block at 0x0000025E5AEA8020, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835139} normal block at 0x0000025E5AE0D070, 140 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) : {3835136} normal block at 0x0000025E59007460, 8 bytes long.
Data: < ÊZ^ > 00 00 CA 5A 5E 02 00 00
{3834534} normal block at 0x0000025E5AE0C9F0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x0000025E59006B50, 8 bytes long.
Data: <Ðí÷Z^ > D0 ED F7 5A 5E 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000025E5900F000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025E58FFC2C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000025E59010540, 16 bytes long.
Data: <( Y^ > 28 15 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025E59010CC0, 16 bytes long.
Data: < Y^ > 00 15 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025E5900ABA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000025E59010630, 16 bytes long.
Data: <Ø Y^ > D8 14 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025E590104F0, 16 bytes long.
Data: <° Y^ > B0 14 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025E59010D60, 16 bytes long.
Data: < Y^ > 88 14 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025E59010770, 16 bytes long.
Data: <` Y^ > 60 14 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025E5900E830, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000025E59010EF0, 16 bytes long.
Data: <h Y^ > 68 9D 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025E5900AD20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000025E590103B0, 16 bytes long.
Data: <@ Y^ > 40 9D 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025E59010590, 16 bytes long.
Data: < Y^ > 18 9D 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025E590104A0, 16 bytes long.
Data: <ðœ Y^ > F0 9C 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025E59010360, 16 bytes long.
Data: <Ȝ Y^ > C8 9C 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025E59010310, 16 bytes long.
Data: < œ Y^ > A0 9C 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025E590105E0, 16 bytes long.
Data: <xœ Y^ > 78 9C 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025E5900AC00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000025E59010720, 16 bytes long.
Data: <Pœ Y^ > 50 9C 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025E59009C50, 320 bytes long.
Data: < Y^ ¬ Y^ > 20 07 01 59 5E 02 00 00 00 AC 00 59 5E 02 00 00
{270} normal block at 0x0000025E590101D0, 16 bytes long.
Data: <@ Y^ > 40 14 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025E59010450, 16 bytes long.
Data: < Y^ > 18 14 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025E5900A360, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000025E59010F40, 16 bytes long.
Data: <ð Y^ > F0 13 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025E5900A120, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000025E59010270, 16 bytes long.
Data: <8 Y^ > 38 13 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025E59010D10, 16 bytes long.
Data: < Y^ > 10 13 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025E59010400, 16 bytes long.
Data: <è Y^ > E8 12 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025E59010180, 16 bytes long.
Data: <À Y^ > C0 12 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025E59010220, 16 bytes long.
Data: < Y^ > 98 12 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025E59010EA0, 16 bytes long.
Data: <p Y^ > 70 12 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025E59010130, 16 bytes long.
Data: < å Y^ > 20 E5 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025E5900E520, 40 bytes long.
Data: <0 Y^ êZ^ > 30 01 01 59 5E 02 00 00 20 80 EA 5A 5E 02 00 00
{256} normal block at 0x0000025E59010E50, 16 bytes long.
Data: <P Y^ > 50 12 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000025E59010BD0, 16 bytes long.
Data: <( Y^ > 28 12 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000025E5900A540, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000025E59010090, 16 bytes long.
Data: < Y^ > 00 12 01 59 5E 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000025E59011200, 992 bytes long.
Data: < Y^ @¥ Y^ > 90 00 01 59 5E 02 00 00 40 A5 00 59 5E 02 00 00
{88} normal block at 0x0000025E5900AEA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000025E590075A0, 16 bytes long.
Data: <@ë Y^ > 40 EB 00 59 5E 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000025E5900EB40, 40 bytes long.
Data: < u Y^  ® Y^ > A0 75 00 59 5E 02 00 00 A0 AE 00 59 5E 02 00 00
{65} normal block at 0x0000025E59007550, 16 bytes long.
Data: < êöÓö > 80 EA F6 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025E59007370, 16 bytes long.
Data: <@éöÓö > 40 E9 F6 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025E59006970, 16 bytes long.
Data: <øWóÓö > F8 57 F3 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025E59006D80, 16 bytes long.
Data: <ØWóÓö > D8 57 F3 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025E59006D30, 16 bytes long.
Data: <P óÓö > 50 04 F3 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025E590071E0, 16 bytes long.
Data: <0 óÓö > 30 04 F3 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000025E59006DD0, 16 bytes long.
Data: <à óÓö > E0 02 F3 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000025E590070A0, 16 bytes long.
Data: < óÓö > 10 04 F3 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000025E59007730, 16 bytes long.
Data: <p óÓö > 70 04 F3 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000025E59006E20, 16 bytes long.
Data: < ÀñÓö > 18 C0 F1 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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