Task 38614676
| Name | hif2a_2_A26_A11_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND6341_0 |
| Workunit | 31567037 |
| Created | 17 Apr 2026, 13:42:48 UTC |
| Sent | 17 Apr 2026, 13:46:02 UTC |
| Report deadline | 22 Apr 2026, 13:46:02 UTC |
| Received | 18 Apr 2026, 14:17:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625157 |
| Run time | 4 hours 11 min 30 sec |
| CPU time | 4 hours 9 min 38 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,338.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 477.79 MB |
| Peak swap size | 12.49 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:06:00 (42528): wrapper (7.9.26016): starting
12:06:00 (42528): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A11_0.pdb
QB_A26_A11_0.xml
QB_A26_A11.inpcrd
QB_A26_A11_input.yaml
QB_A26_A11.pdb
QB_A26_A11.prmtop
QB_A26_A11_sys.xml
run.bat
run.sh
12:06:01 (42528): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:06:01 (42528): 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 'L:\BOINCProjects\slots\1\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 'L:\BOINCProjects\slots\1\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
16:16:10 (42528): C:/Windows/system32/cmd.exe exited; CPU time 14978.593750
16:16:10 (42528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 292782963 bytes.
Dumping objects ->
{3835254} normal block at 0x000001AD86114FD0, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835243} normal block at 0x000001AD87E15070, 32 bytes long.
Data: <HOME=L:\BOINCPro> 48 4F 4D 45 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835232} normal block at 0x000001AD87E14E30, 32 bytes long.
Data: <TMP=L:\BOINCProj> 54 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 6A
{3835221} normal block at 0x000001AD87E14950, 32 bytes long.
Data: <TEMP=L:\BOINCPro> 54 45 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835210} normal block at 0x000001AD87E145F0, 32 bytes long.
Data: <TMPDIR=L:\BOINCP> 54 4D 50 44 49 52 3D 4C 3A 5C 42 4F 49 4E 43 50
{3835179} normal block at 0x000001AD861153C0, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
..\api\boinc_api.cpp(309) : {3835166} normal block at 0x000001AD8610DCF0, 8 bytes long.
Data: < †­ > 00 00 08 86 AD 01 00 00
{3833955} normal block at 0x000001AD8610D160, 8 bytes long.
Data: <`¬ †­ > 60 AC 13 86 AD 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001AD86100CF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AD86101800, 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 0x000001AD86116080, 16 bytes long.
Data: <Xj †­ > 58 6A 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AD86115FE0, 16 bytes long.
Data: <0j †­ > 30 6A 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AD861111F0, 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 0x000001AD86115860, 16 bytes long.
Data: < j †­ > 08 6A 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AD86115F90, 16 bytes long.
Data: <ài †­ > E0 69 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AD861163A0, 16 bytes long.
Data: <¸i †­ > B8 69 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AD86115A40, 16 bytes long.
Data: < i †­ > 90 69 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AD86115120, 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 0x000001AD86115EF0, 16 bytes long.
Data: <Øñ †­ > D8 F1 0F 86 AD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AD861115B0, 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 0x000001AD86115B30, 16 bytes long.
Data: <°ñ †­ > B0 F1 0F 86 AD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AD86115AE0, 16 bytes long.
Data: < ñ †­ > 88 F1 0F 86 AD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AD86116440, 16 bytes long.
Data: <`ñ †­ > 60 F1 0F 86 AD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AD86116670, 16 bytes long.
Data: <8ñ †­ > 38 F1 0F 86 AD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AD86115B80, 16 bytes long.
Data: < ñ †­ > 10 F1 0F 86 AD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AD86116030, 16 bytes long.
Data: <èð †­ > E8 F0 0F 86 AD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AD86111550, 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 0x000001AD86115CC0, 16 bytes long.
Data: <Àð †­ > C0 F0 0F 86 AD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AD860FF0C0, 320 bytes long.
Data: <À\ †­ P †­ > C0 5C 11 86 AD 01 00 00 50 15 11 86 AD 01 00 00
{273} normal block at 0x000001AD86116170, 16 bytes long.
Data: <pi †­ > 70 69 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AD86116620, 16 bytes long.
Data: <Hi †­ > 48 69 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AD86111190, 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 0x000001AD86115E50, 16 bytes long.
Data: < i †­ > 20 69 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AD86111010, 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 0x000001AD86115E00, 16 bytes long.
Data: <hh †­ > 68 68 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AD86115DB0, 16 bytes long.
Data: <@h †­ > 40 68 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AD86115EA0, 16 bytes long.
Data: < h †­ > 18 68 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AD861164E0, 16 bytes long.
Data: <ðg †­ > F0 67 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AD86115900, 16 bytes long.
Data: <Èg †­ > C8 67 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AD86115F40, 16 bytes long.
Data: < g †­ > A0 67 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AD86115C20, 16 bytes long.
Data: <PS †­ > 50 53 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AD86115350, 40 bytes long.
Data: < \ †­ ÀS †­ > 20 5C 11 86 AD 01 00 00 C0 53 11 86 AD 01 00 00
{259} normal block at 0x000001AD86115810, 16 bytes long.
Data: < g †­ > 80 67 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AD86115770, 16 bytes long.
Data: <Xg †­ > 58 67 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001AD86110F50, 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 0x000001AD86115C70, 16 bytes long.
Data: <0g †­ > 30 67 11 86 AD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001AD86116730, 992 bytes long.
Data: <p\ †­ P †­ > 70 5C 11 86 AD 01 00 00 50 0F 11 86 AD 01 00 00
{91} normal block at 0x000001AD86111670, 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 0x000001AD8610DB60, 16 bytes long.
Data: < †­ > 10 03 10 86 AD 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001AD86100310, 40 bytes long.
Data: <`Û †­ p †­ > 60 DB 10 86 AD 01 00 00 70 16 11 86 AD 01 00 00
{68} normal block at 0x000001AD8610DCA0, 16 bytes long.
Data: < êçð÷ > 80 EA E7 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AD8610DA20, 16 bytes long.
Data: <@éçð÷ > 40 E9 E7 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AD8610D110, 16 bytes long.
Data: <øWäð÷ > F8 57 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AD8610DB10, 16 bytes long.
Data: <ØWäð÷ > D8 57 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AD8610D1B0, 16 bytes long.
Data: <P äð÷ > 50 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AD8610DF20, 16 bytes long.
Data: <0 äð÷ > 30 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AD8610E010, 16 bytes long.
Data: <à äð÷ > E0 02 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AD8610D7F0, 16 bytes long.
Data: < äð÷ > 10 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AD8610D2A0, 16 bytes long.
Data: <p äð÷ > 70 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AD8610D930, 16 bytes long.
Data: < Àâð÷ > 18 C0 E2 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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