Task 38644796
| Name | tnks2_A02_A20_r0_1-QUICO_ATM_OpenFF23_NAGL_tnks2-1-6-RND5290_0 |
| Workunit | 31590106 |
| Created | 9 May 2026, 16:26:27 UTC |
| Sent | 9 May 2026, 16:26:34 UTC |
| Report deadline | 14 May 2026, 16:26:34 UTC |
| Received | 11 May 2026, 4:57:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 400693 |
| Run time | 9 hours 41 min 10 sec |
| CPU time | 9 hours 0 min 53 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 4,172.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 458.34 MB |
| Peak swap size | 3.46 GB |
| Peak disk usage | 3.89 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:18:24 (7712): wrapper (7.9.26016): starting
21:18:24 (7712): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A20_0.pdb
QB_A02_A20_0.xml
QB_A02_A20.inpcrd
QB_A02_A20_input.yaml
QB_A02_A20.pdb
QB_A02_A20.prmtop
QB_A02_A20_sys.xml
run.bat
run.sh
21:18:27 (7712): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:18:27 (7712): 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
06:56:17 (7712): C:/Windows/system32/cmd.exe exited; CPU time 32453.734375
06:56:17 (7712): 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: 383850165 bytes.
Dumping objects ->
{3835132} normal block at 0x0000026E83970DB0, 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 0x0000026E83970B10, 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 0x0000026E839712F0, 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 0x0000026E839708E0, 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 0x0000026E83970D40, 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 0x0000026E83A76110, 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 0x0000026E81F3CAF0, 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 0x0000026E81EE7500, 8 bytes long.
Data: < ë n > 00 00 EB 81 6E 02 00 00
{3834495} normal block at 0x0000026E81F3C7B0, 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 0x0000026E81EE6B50, 8 bytes long.
Data: <P"­ƒn > 50 22 AD 83 6E 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000026E81EF1890, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026E81EED190, 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 0x0000026E81EF36E0, 16 bytes long.
Data: <È>ï n > C8 3E EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026E81EF2DD0, 16 bytes long.
Data: < >ï n > A0 3E EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026E81EEBC70, 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 0x0000026E81EF33C0, 16 bytes long.
Data: <x>ï n > 78 3E EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026E81EF3370, 16 bytes long.
Data: <P>ï n > 50 3E EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026E81EF29C0, 16 bytes long.
Data: <(>ï n > 28 3E EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026E81EF2D80, 16 bytes long.
Data: < >ï n > 00 3E EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026E81EED780, 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 0x0000026E81EF2970, 16 bytes long.
Data: <8¿í n > 38 BF ED 81 6E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026E81EEBC10, 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 0x0000026E81EF2B00, 16 bytes long.
Data: < ¿í n > 10 BF ED 81 6E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026E81EF32D0, 16 bytes long.
Data: <è¾í n > E8 BE ED 81 6E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026E81EF2CE0, 16 bytes long.
Data: <À¾í n > C0 BE ED 81 6E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026E81EF28D0, 16 bytes long.
Data: < ¾í n > 98 BE ED 81 6E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026E81EF3640, 16 bytes long.
Data: <p¾í n > 70 BE ED 81 6E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026E81EF3230, 16 bytes long.
Data: <H¾í n > 48 BE ED 81 6E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026E81EEC4B0, 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 0x0000026E81EF2E20, 16 bytes long.
Data: < ¾í n > 20 BE ED 81 6E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026E81EDBE20, 320 bytes long.
Data: < .ï n °Äî n > 20 2E EF 81 6E 02 00 00 B0 C4 EE 81 6E 02 00 00
{273} normal block at 0x0000026E81EF35F0, 16 bytes long.
Data: <à=ï n > E0 3D EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026E81EF35A0, 16 bytes long.
Data: <¸=ï n > B8 3D EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026E81EEC0F0, 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 0x0000026E81EF31E0, 16 bytes long.
Data: < =ï n > 90 3D EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026E81EEC510, 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 0x0000026E81EF3730, 16 bytes long.
Data: <Ø<ï n > D8 3C EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026E81EF30A0, 16 bytes long.
Data: <°<ï n > B0 3C EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026E81EF3690, 16 bytes long.
Data: < <ï n > 88 3C EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026E81EF2830, 16 bytes long.
Data: <`<ï n > 60 3C EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026E81EF3140, 16 bytes long.
Data: <8<ï n > 38 3C EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026E81EF3280, 16 bytes long.
Data: < <ï n > 10 3C EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026E81EF2EC0, 16 bytes long.
Data: <@Ùî n > 40 D9 EE 81 6E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026E81EED940, 40 bytes long.
Data: <À.ï n a§ƒn > C0 2E EF 81 6E 02 00 00 10 61 A7 83 6E 02 00 00
{259} normal block at 0x0000026E81EF2A10, 16 bytes long.
Data: <ð;ï n > F0 3B EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026E81EF2920, 16 bytes long.
Data: <È;ï n > C8 3B EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026E81EEC1B0, 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 0x0000026E81EF2C90, 16 bytes long.
Data: < ;ï n > A0 3B EF 81 6E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026E81EF3BA0, 992 bytes long.
Data: < ,ï n °Áî n > 90 2C EF 81 6E 02 00 00 B0 C1 EE 81 6E 02 00 00
{91} normal block at 0x0000026E81EEBD90, 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 0x0000026E81EE6F10, 16 bytes long.
Data: <0Öî n > 30 D6 EE 81 6E 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000026E81EED630, 40 bytes long.
Data: < oî n ½î n > 10 6F EE 81 6E 02 00 00 90 BD EE 81 6E 02 00 00
{68} normal block at 0x0000026E81EE6C90, 16 bytes long.
Data: < êü‡÷ > 80 EA FC 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026E81EE7190, 16 bytes long.
Data: <@éü‡÷ > 40 E9 FC 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026E81EE6E70, 16 bytes long.
Data: <øWù‡÷ > F8 57 F9 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026E81EE6AB0, 16 bytes long.
Data: <ØWù‡÷ > D8 57 F9 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026E81EE6DD0, 16 bytes long.
Data: <P ù‡÷ > 50 04 F9 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026E81EE6A60, 16 bytes long.
Data: <0 ù‡÷ > 30 04 F9 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026E81EE6E20, 16 bytes long.
Data: <à ù‡÷ > E0 02 F9 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026E81EE7000, 16 bytes long.
Data: < ù‡÷ > 10 04 F9 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026E81EE6EC0, 16 bytes long.
Data: <p ù‡÷ > 70 04 F9 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026E81EE6970, 16 bytes long.
Data: < À÷‡÷ > 18 C0 F7 87 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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