Task 38609452
| Name | hif2a_A14_A05_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a-1-6-RND3749_1 |
| Workunit | 31561514 |
| Created | 14 Apr 2026, 23:51:50 UTC |
| Sent | 14 Apr 2026, 23:51:58 UTC |
| Report deadline | 19 Apr 2026, 23:51:58 UTC |
| Received | 15 Apr 2026, 16:58:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630626 |
| Run time | 1 hours 40 min 48 sec |
| CPU time | 1 hours 40 min 48 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 40,330.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 455.12 MB |
| Peak swap size | 5.03 GB |
| Peak disk usage | 2.89 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:11:52 (28732): wrapper (7.9.26016): starting
11:11:52 (28732): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A05_0.pdb
QB_A14_A05_0.xml
QB_A14_A05.inpcrd
QB_A14_A05_input.yaml
QB_A14_A05.pdb
QB_A14_A05.prmtop
QB_A14_A05_sys.xml
run.bat
run.sh
11:11:53 (28732): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:11:53 (28732): 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
12:57:46 (28732): C:/Windows/system32/cmd.exe exited; CPU time 6048.796875
12:57:46 (28732): 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: 124163855 bytes.
Dumping objects ->
{3835576} normal block at 0x000001F186C15660, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835565} normal block at 0x000001F186C14E80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835554} normal block at 0x000001F184FA69C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835543} normal block at 0x000001F184FA68E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835532} normal block at 0x000001F184FA6F70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835501} normal block at 0x000001F186B8CF50, 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) : {3835488} normal block at 0x000001F184F9E4A0, 8 bytes long.
Data: < ÷„ñ > 00 00 F7 84 F1 01 00 00
{3833961} normal block at 0x000001F184F9DF00, 8 bytes long.
Data: < ë …ñ > 80 EB 07 85 F1 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F184F90CE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F184F92B90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001F184FA7780, 16 bytes long.
Data: <؃ú„ñ > D8 83 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F184FA8040, 16 bytes long.
Data: <°ƒú„ñ > B0 83 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F184FA0160, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001F184FA7E60, 16 bytes long.
Data: < ƒú„ñ > 88 83 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F184FA7730, 16 bytes long.
Data: <`ƒú„ñ > 60 83 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F184FA75A0, 16 bytes long.
Data: <8ƒú„ñ > 38 83 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F184FA76E0, 16 bytes long.
Data: < ƒú„ñ > 10 83 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F184FA6DB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001F184FA7460, 16 bytes long.
Data: < òø„ñ > 88 F2 F8 84 F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F184FA07C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001F184FA7410, 16 bytes long.
Data: <`òø„ñ > 60 F2 F8 84 F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F184FA7550, 16 bytes long.
Data: <8òø„ñ > 38 F2 F8 84 F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F184FA7E10, 16 bytes long.
Data: < òø„ñ > 10 F2 F8 84 F1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F184FA7960, 16 bytes long.
Data: <èñø„ñ > E8 F1 F8 84 F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F184FA7AA0, 16 bytes long.
Data: <Àñø„ñ > C0 F1 F8 84 F1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F184FA7EB0, 16 bytes long.
Data: < ñø„ñ > 98 F1 F8 84 F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F184F9FAA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001F184FA7DC0, 16 bytes long.
Data: <pñø„ñ > 70 F1 F8 84 F1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F184F8F170, 320 bytes long.
Data: <À}ú„ñ  úù„ñ > C0 7D FA 84 F1 01 00 00 A0 FA F9 84 F1 01 00 00
{276} normal block at 0x000001F184FA7D70, 16 bytes long.
Data: <ð‚ú„ñ > F0 82 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F184FA7910, 16 bytes long.
Data: <È‚ú„ñ > C8 82 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F184F9FCE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001F184FA7870, 16 bytes long.
Data: < ‚ú„ñ > A0 82 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F184F9FBC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001F184FA7D20, 16 bytes long.
Data: <è ú„ñ > E8 81 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F184FA77D0, 16 bytes long.
Data: <À ú„ñ > C0 81 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F184FA7FF0, 16 bytes long.
Data: < ú„ñ > 98 81 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F184FA7640, 16 bytes long.
Data: <p ú„ñ > 70 81 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F184FA73C0, 16 bytes long.
Data: <H ú„ñ > 48 81 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F184FA7FA0, 16 bytes long.
Data: < ú„ñ > 20 81 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F184FA7F00, 16 bytes long.
Data: <àoú„ñ > E0 6F FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F184FA6FE0, 40 bytes long.
Data: < ú„ñ Pϸ†ñ > 00 7F FA 84 F1 01 00 00 50 CF B8 86 F1 01 00 00
{262} normal block at 0x000001F184FA7CD0, 16 bytes long.
Data: < ú„ñ > 00 81 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F184FA7690, 16 bytes long.
Data: <Ø ú„ñ > D8 80 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F184F9FE00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001F184FA7B90, 16 bytes long.
Data: <° ú„ñ > B0 80 FA 84 F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F184FA80B0, 992 bytes long.
Data: < {ú„ñ þù„ñ > 90 7B FA 84 F1 01 00 00 00 FE F9 84 F1 01 00 00
{94} normal block at 0x000001F184F9F9E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001F184F9D6E0, 16 bytes long.
Data: <°,ù„ñ > B0 2C F9 84 F1 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001F184F92CB0, 40 bytes long.
Data: <àÖù„ñ àùù„ñ > E0 D6 F9 84 F1 01 00 00 E0 F9 F9 84 F1 01 00 00
{71} normal block at 0x000001F184F9D960, 16 bytes long.
Data: < êôý÷ > 80 EA F4 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F184F9D910, 16 bytes long.
Data: <@éôý÷ > 40 E9 F4 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F184F9E310, 16 bytes long.
Data: <øWñý÷ > F8 57 F1 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F184F9DA00, 16 bytes long.
Data: <ØWñý÷ > D8 57 F1 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F184F9DB40, 16 bytes long.
Data: <P ñý÷ > 50 04 F1 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F184F9E5E0, 16 bytes long.
Data: <0 ñý÷ > 30 04 F1 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F184F9E360, 16 bytes long.
Data: <à ñý÷ > E0 02 F1 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F184F9E2C0, 16 bytes long.
Data: < ñý÷ > 10 04 F1 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F184F9D730, 16 bytes long.
Data: <p ñý÷ > 70 04 F1 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F184F9DC80, 16 bytes long.
Data: < Àïý÷ > 18 C0 EF FD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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