Task 38636728
| Name | cdk8_A14_A15_r0_2-QUICO_ATM_OpenFF23_NAGL_cdk8-2-6-RND0273_0 |
| Workunit | 31584918 |
| Created | 29 Apr 2026, 9:35:52 UTC |
| Sent | 29 Apr 2026, 9:35:56 UTC |
| Report deadline | 4 May 2026, 9:35:56 UTC |
| Received | 30 Apr 2026, 0:50:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613742 |
| Run time | 5 hours 52 min 55 sec |
| CPU time | 5 hours 52 min 55 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 33,171.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 932.88 MB |
| Peak swap size | 5.84 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:59:12 (5264): wrapper (7.9.26016): starting
21:59:12 (5264): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A15_0.pdb
QB_A14_A15_0.xml
QB_A14_A15.inpcrd
QB_A14_A15_input.yaml
QB_A14_A15.pdb
QB_A14_A15.prmtop
QB_A14_A15_sys.xml
run.bat
run.sh
21:59:14 (5264): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:59:14 (5264): 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\9\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\9\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
03:48:20 (5264): C:/Windows/system32/cmd.exe exited; CPU time 21175.953125
03:48:20 (5264): 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: 275556833 bytes.
Dumping objects ->
{3835233} normal block at 0x000001ED146E0840, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001ED146E1100, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000001ED146E1090, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835200} normal block at 0x000001ED146E12C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835189} normal block at 0x000001ED146E0FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835158} normal block at 0x000001ED147DA640, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835147} normal block at 0x000001ED12BE72E0, 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) : {3835144} normal block at 0x000001ED12B9B370, 8 bytes long.
Data: < ´ í > 00 00 B4 12 ED 01 00 00
{3834542} normal block at 0x000001ED12BE6510, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001ED12B9B2D0, 8 bytes long.
Data: <@L¸ í > 40 4C B8 12 ED 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001ED12B84520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ED12B86350, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001ED12B9B730, 16 bytes long.
Data: <È¿¹ í > C8 BF B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ED12B9B0A0, 16 bytes long.
Data: < ¿¹ í > A0 BF B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ED12B97300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001ED12B9B820, 16 bytes long.
Data: <x¿¹ í > 78 BF B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ED12B9B550, 16 bytes long.
Data: <P¿¹ í > 50 BF B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ED12B9B9B0, 16 bytes long.
Data: <(¿¹ í > 28 BF B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ED12B9B690, 16 bytes long.
Data: < ¿¹ í > 00 BF B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ED12B96610, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001ED12B9AD80, 16 bytes long.
Data: <ÈA¸ í > C8 41 B8 12 ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ED12B97780, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001ED12B9B500, 16 bytes long.
Data: < A¸ í > A0 41 B8 12 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ED12B9B4B0, 16 bytes long.
Data: <xA¸ í > 78 41 B8 12 ED 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ED12B9B910, 16 bytes long.
Data: <PA¸ í > 50 41 B8 12 ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ED12B9B870, 16 bytes long.
Data: <(A¸ í > 28 41 B8 12 ED 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ED12B9B410, 16 bytes long.
Data: < A¸ í > 00 41 B8 12 ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ED12B9B3C0, 16 bytes long.
Data: <Ø@¸ í > D8 40 B8 12 ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ED12B975A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001ED12B9B050, 16 bytes long.
Data: <°@¸ í > B0 40 B8 12 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ED12B840B0, 320 bytes long.
Data: <P°¹ í  u¹ í > 50 B0 B9 12 ED 01 00 00 A0 75 B9 12 ED 01 00 00
{274} normal block at 0x000001ED12B9B000, 16 bytes long.
Data: <ྐྵ í > E0 BE B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ED12B9B6E0, 16 bytes long.
Data: <¸¾¹ í > B8 BE B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ED12B97CC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001ED12B9AFB0, 16 bytes long.
Data: < ¾¹ í > 90 BE B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ED12B97660, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001ED12B9AF60, 16 bytes long.
Data: <ؽ¹ í > D8 BD B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ED12B9B640, 16 bytes long.
Data: <°½¹ í > B0 BD B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ED12B9B460, 16 bytes long.
Data: < ½¹ í > 88 BD B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ED12B9AE20, 16 bytes long.
Data: <`½¹ í > 60 BD B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ED12B9B320, 16 bytes long.
Data: <8½¹ í > 38 BD B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ED12B9AF10, 16 bytes long.
Data: < ½¹ í > 10 BD B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ED12B9B0F0, 16 bytes long.
Data: <Àk¹ í > C0 6B B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ED12B96BC0, 40 bytes long.
Data: <ð°¹ í @¦} í > F0 B0 B9 12 ED 01 00 00 40 A6 7D 14 ED 01 00 00
{260} normal block at 0x000001ED12B9B7D0, 16 bytes long.
Data: <ð¼¹ í > F0 BC B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ED12B9B780, 16 bytes long.
Data: <ȼ¹ í > C8 BC B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ED12B97A80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001ED12B9B960, 16 bytes long.
Data: < ¼¹ í > A0 BC B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001ED12B9BCA0, 992 bytes long.
Data: <`¹¹ í z¹ í > 60 B9 B9 12 ED 01 00 00 80 7A B9 12 ED 01 00 00
{92} normal block at 0x000001ED12B97D20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001ED12B8FC50, 16 bytes long.
Data: <`g¹ í > 60 67 B9 12 ED 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001ED12B96760, 40 bytes long.
Data: <Pü¸ í }¹ í > 50 FC B8 12 ED 01 00 00 20 7D B9 12 ED 01 00 00
{69} normal block at 0x000001ED12B8FF20, 16 bytes long.
Data: < ê Á÷ > 80 EA 17 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ED12B8FBB0, 16 bytes long.
Data: <@é Á÷ > 40 E9 17 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ED12B8F980, 16 bytes long.
Data: <øW Á÷ > F8 57 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ED12B8F930, 16 bytes long.
Data: <ØW Á÷ > D8 57 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ED12B8F070, 16 bytes long.
Data: <P Á÷ > 50 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ED12B8F160, 16 bytes long.
Data: <0 Á÷ > 30 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ED12B8F5C0, 16 bytes long.
Data: <à Á÷ > E0 02 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ED12B8F1B0, 16 bytes long.
Data: < Á÷ > 10 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001ED12B8F430, 16 bytes long.
Data: <p Á÷ > 70 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001ED12B8F7A0, 16 bytes long.
Data: < À Á÷ > 18 C0 12 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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