Task 38610915

Name p38_A27_A15_r0_4-QUICO_ATM_OpenFF_p38-1-6-RND3478_0
Workunit 31563729
Created 15 Apr 2026, 14:12:06 UTC
Sent 15 Apr 2026, 14:12:16 UTC
Report deadline 20 Apr 2026, 14:12:16 UTC
Received 16 Apr 2026, 14:05:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591711
Run time 7 hours 50 min 2 sec
CPU time 7 hours 50 min 2 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 36,131.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.88 MB
Peak swap size 18.98 GB
Peak disk usage 3.08 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
08:06:40 (38676): wrapper (7.9.26016): starting
08:06:40 (38676): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A15_0.pdb
QB_A27_A15_0.xml
QB_A27_A15.inpcrd
QB_A27_A15_input.yaml
QB_A27_A15.pdb
QB_A27_A15.prmtop
QB_A27_A15_sys.xml
run.bat
run.sh
08:06:42 (38676): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:06:43 (38676): 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:\Boinc\005\slots\3\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:\Boinc\005\slots\3\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
15:39:00 (38676): C:/Windows/system32/cmd.exe exited; CPU time 28202.625000
15:39:00 (38676): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 827944351 bytes.
Dumping objects ->
{3835280} normal block at 0x0000015617E66E80, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835269} normal block at 0x0000015619C83650, 32 bytes long.
 Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835258} normal block at 0x0000015619C840D0, 32 bytes long.
 Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35 
{3835247} normal block at 0x0000015619C83CB0, 32 bytes long.
 Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835236} normal block at 0x0000015619C844F0, 32 bytes long.
 Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C 
{3835205} normal block at 0x0000015617E675F0, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835194} normal block at 0x0000015617E8DF00, 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) : {3835191} normal block at 0x0000015617E38230, 8 bytes long.
 Data: <  &#211; V   > 00 00 D3 17 56 01 00 00 
{3834554} normal block at 0x0000015617E8D060, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000015617E37D30, 8 bytes long.
 Data: <p &#201; V   > 70 0E C9 19 56 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000015617E3D4F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015617E2B080, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000015617E440D0, 16 bytes long.
 Data: < F&#228; V           > 98 46 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015617E44300, 16 bytes long.
 Data: <pF&#228; V           > 70 46 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015617E3E130, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000015617E43F90, 16 bytes long.
 Data: <HF&#228; V           > 48 46 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015617E43EF0, 16 bytes long.
 Data: < F&#228; V           > 20 46 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015617E43E00, 16 bytes long.
 Data: <&#248;E&#228; V           > F8 45 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015617E44080, 16 bytes long.
 Data: <&#208;E&#228; V           > D0 45 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015617E3C800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000015617E43C20, 16 bytes long.
 Data: < &#204;&#226; V           > 18 CC E2 17 56 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015617E3E430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000015617E442B0, 16 bytes long.
 Data: <&#240;&#203;&#226; V           > F0 CB E2 17 56 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015617E43BD0, 16 bytes long.
 Data: <&#200;&#203;&#226; V           > C8 CB E2 17 56 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015617E441C0, 16 bytes long.
 Data: <&#160;&#203;&#226; V           > A0 CB E2 17 56 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015617E44030, 16 bytes long.
 Data: <x&#203;&#226; V           > 78 CB E2 17 56 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015617E43B80, 16 bytes long.
 Data: <P&#203;&#226; V           > 50 CB E2 17 56 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015617E43D60, 16 bytes long.
 Data: <(&#203;&#226; V           > 28 CB E2 17 56 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015617E3DD10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000015617E44170, 16 bytes long.
 Data: < &#203;&#226; V           > 00 CB E2 17 56 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015617E2CB00, 320 bytes long.
 Data: <pA&#228; V    &#221;&#227; V   > 70 41 E4 17 56 01 00 00 10 DD E3 17 56 01 00 00 
{270} normal block at 0x0000015617E43A90, 16 bytes long.
 Data: <&#176;E&#228; V           > B0 45 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015617E43D10, 16 bytes long.
 Data: < E&#228; V           > 88 45 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015617E3DA10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000015617E43F40, 16 bytes long.
 Data: <`E&#228; V           > 60 45 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015617E3E0D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000015617E43A40, 16 bytes long.
 Data: <&#168;D&#228; V           > A8 44 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015617E439F0, 16 bytes long.
 Data: < D&#228; V           > 80 44 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015617E43B30, 16 bytes long.
 Data: <XD&#228; V           > 58 44 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015617E43810, 16 bytes long.
 Data: <0D&#228; V           > 30 44 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015617E44260, 16 bytes long.
 Data: < D&#228; V           > 08 44 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015617E43900, 16 bytes long.
 Data: <&#224;C&#228; V           > E0 43 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015617E436D0, 16 bytes long.
 Data: <0&#195;&#227; V           > 30 C3 E3 17 56 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015617E3C330, 40 bytes long.
 Data: <&#208;6&#228; V   &#240;u&#230; V   > D0 36 E4 17 56 01 00 00 F0 75 E6 17 56 01 00 00 
{256} normal block at 0x0000015617E43860, 16 bytes long.
 Data: <&#192;C&#228; V           > C0 43 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015617E43FE0, 16 bytes long.
 Data: < C&#228; V           > 98 43 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000015617E3E070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000015617E437C0, 16 bytes long.
 Data: <pC&#228; V           > 70 43 E4 17 56 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000015617E44370, 992 bytes long.
 Data: <&#192;7&#228; V   p&#224;&#227; V   > C0 37 E4 17 56 01 00 00 70 E0 E3 17 56 01 00 00 
{88} normal block at 0x0000015617E3D770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000015617E381E0, 16 bytes long.
 Data: <&#224;&#193;&#227; V           > E0 C1 E3 17 56 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000015617E3C1E0, 40 bytes long.
 Data: <&#224; &#227; V   p&#215;&#227; V   > E0 81 E3 17 56 01 00 00 70 D7 E3 17 56 01 00 00 
{65} normal block at 0x0000015617E37BF0, 16 bytes long.
 Data: < &#234;&#253;s&#246;           > 80 EA FD 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015617E380F0, 16 bytes long.
 Data: <@&#233;&#253;s&#246;           > 40 E9 FD 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015617E37BA0, 16 bytes long.
 Data: <&#248;W&#250;s&#246;           > F8 57 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015617E37B00, 16 bytes long.
 Data: <&#216;W&#250;s&#246;           > D8 57 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015617E38280, 16 bytes long.
 Data: <P &#250;s&#246;           > 50 04 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015617E37AB0, 16 bytes long.
 Data: <0 &#250;s&#246;           > 30 04 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015617E379C0, 16 bytes long.
 Data: <&#224; &#250;s&#246;           > E0 02 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015617E37CE0, 16 bytes long.
 Data: <  &#250;s&#246;           > 10 04 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015617E380A0, 16 bytes long.
 Data: <p &#250;s&#246;           > 70 04 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000015617E37C90, 16 bytes long.
 Data: < &#192;&#248;s&#246;           > 18 C0 F8 73 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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