Task 38623954
| Name | CDK2_A06_A05_r0_1-QUICO_ATM_OpenFF_CDK2-3-6-RND5334_1 |
| Workunit | 31574476 |
| Created | 22 Apr 2026, 5:29:22 UTC |
| Sent | 22 Apr 2026, 5:29:27 UTC |
| Report deadline | 27 Apr 2026, 5:29:27 UTC |
| Received | 25 Apr 2026, 6:55:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 400693 |
| Run time | 18 hours 10 min 39 sec |
| CPU time | 17 hours 34 min 32 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 4,172.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.81 MB |
| Peak swap size | 3.81 GB |
| Peak disk usage | 3.75 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:47:22 (9264): wrapper (7.9.26016): starting
14:47:22 (9264): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A05_0.pdb
QB_A06_A05_0.xml
QB_A06_A05.inpcrd
QB_A06_A05_input.yaml
QB_A06_A05.pdb
QB_A06_A05.prmtop
QB_A06_A05_sys.xml
run.bat
run.sh
14:47:26 (9264): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:47:26 (9264): 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
08:53:27 (9264): C:/Windows/system32/cmd.exe exited; CPU time 63272.062500
08:53:27 (9264): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 742942159 bytes.
Dumping objects ->
{3835132} normal block at 0x000001F1FF7C09C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835121} normal block at 0x000001F1FF7C1280, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835110} normal block at 0x000001F1FF7C17C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835099} normal block at 0x000001F1FF7C0DB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835088} normal block at 0x000001F1FF7C1750, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835057} normal block at 0x000001F1FF905210, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835046} normal block at 0x000001F1FF2AE0E0, 145 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) : {3835043} normal block at 0x000001F1FF256920, 8 bytes long.
Data: < ÿñ > 00 00 1E FF F1 01 00 00
{3834495} normal block at 0x000001F1FF2ACE30, 145 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001F1FF257730, 8 bytes long.
Data: <P"–ÿñ > 50 22 96 FF F1 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F1FF261890, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F1FF25D190, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001F1FF2627E0, 16 bytes long.
Data: <È>&ÿñ > C8 3E 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F1FF263730, 16 bytes long.
Data: < >&ÿñ > A0 3E 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F1FF25B9D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001F1FF263690, 16 bytes long.
Data: <x>&ÿñ > 78 3E 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F1FF263640, 16 bytes long.
Data: <P>&ÿñ > 50 3E 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F1FF263500, 16 bytes long.
Data: <(>&ÿñ > 28 3E 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F1FF2632D0, 16 bytes long.
Data: < >&ÿñ > 00 3E 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F1FF25DA90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001F1FF2635F0, 16 bytes long.
Data: <8¿$ÿñ > 38 BF 24 FF F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F1FF25C150, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001F1FF263190, 16 bytes long.
Data: < ¿$ÿñ > 10 BF 24 FF F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F1FF262BA0, 16 bytes long.
Data: <è¾$ÿñ > E8 BE 24 FF F1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F1FF263410, 16 bytes long.
Data: <À¾$ÿñ > C0 BE 24 FF F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F1FF262C90, 16 bytes long.
Data: < ¾$ÿñ > 98 BE 24 FF F1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F1FF263000, 16 bytes long.
Data: <p¾$ÿñ > 70 BE 24 FF F1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F1FF262F10, 16 bytes long.
Data: <H¾$ÿñ > 48 BE 24 FF F1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F1FF25C030, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001F1FF263140, 16 bytes long.
Data: < ¾$ÿñ > 20 BE 24 FF F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F1FF24BE20, 320 bytes long.
Data: <@1&ÿñ 0À%ÿñ > 40 31 26 FF F1 01 00 00 30 C0 25 FF F1 01 00 00
{273} normal block at 0x000001F1FF262EC0, 16 bytes long.
Data: <à=&ÿñ > E0 3D 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F1FF262B50, 16 bytes long.
Data: <¸=&ÿñ > B8 3D 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F1FF25BFD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001F1FF262CE0, 16 bytes long.
Data: < =&ÿñ > 90 3D 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F1FF25C0F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001F1FF262E70, 16 bytes long.
Data: <Ø<&ÿñ > D8 3C 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F1FF262FB0, 16 bytes long.
Data: <°<&ÿñ > B0 3C 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F1FF262E20, 16 bytes long.
Data: < <&ÿñ > 88 3C 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F1FF262920, 16 bytes long.
Data: <`<&ÿñ > 60 3C 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F1FF262F60, 16 bytes long.
Data: <8<&ÿñ > 38 3C 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F1FF263280, 16 bytes long.
Data: < <&ÿñ > 10 3C 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F1FF2635A0, 16 bytes long.
Data: <`Ø%ÿñ > 60 D8 25 FF F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F1FF25D860, 40 bytes long.
Data: < 5&ÿñ R ÿñ > A0 35 26 FF F1 01 00 00 10 52 90 FF F1 01 00 00
{259} normal block at 0x000001F1FF262830, 16 bytes long.
Data: <ð;&ÿñ > F0 3B 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F1FF263460, 16 bytes long.
Data: <È;&ÿñ > C8 3B 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F1FF25C570, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001F1FF262B00, 16 bytes long.
Data: < ;&ÿñ > A0 3B 26 FF F1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F1FF263BA0, 992 bytes long.
Data: < +&ÿñ pÅ%ÿñ > 00 2B 26 FF F1 01 00 00 70 C5 25 FF F1 01 00 00
{91} normal block at 0x000001F1FF25B7F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001F1FF257500, 16 bytes long.
Data: <°Ù%ÿñ > B0 D9 25 FF F1 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001F1FF25D9B0, 40 bytes long.
Data: < u%ÿñ ð·%ÿñ > 00 75 25 FF F1 01 00 00 F0 B7 25 FF F1 01 00 00
{68} normal block at 0x000001F1FF2570A0, 16 bytes long.
Data: < êÞÕö > 80 EA DE D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F1FF2574B0, 16 bytes long.
Data: <@éÞÕö > 40 E9 DE D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F1FF257190, 16 bytes long.
Data: <øWÛÕö > F8 57 DB D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F1FF256F10, 16 bytes long.
Data: <ØWÛÕö > D8 57 DB D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F1FF257640, 16 bytes long.
Data: <P ÛÕö > 50 04 DB D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F1FF257050, 16 bytes long.
Data: <0 ÛÕö > 30 04 DB D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F1FF257690, 16 bytes long.
Data: <à ÛÕö > E0 02 DB D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F1FF256F60, 16 bytes long.
Data: < ÛÕö > 10 04 DB D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F1FF256E70, 16 bytes long.
Data: <p ÛÕö > 70 04 DB D5 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F1FF257550, 16 bytes long.
Data: < ÀÙÕö > 18 C0 D9 D5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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