Task 38611508

Name JNK1_A10_A09_r0_1-QUICO_ATM_OpenFF_JNK1-1-6-RND7096_1
Workunit 31564228
Created 15 Apr 2026, 20:18:21 UTC
Sent 15 Apr 2026, 20:18:32 UTC
Report deadline 20 Apr 2026, 20:18:32 UTC
Received 17 Apr 2026, 1:27:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591716
Run time 6 hours 56 min 57 sec
CPU time 6 hours 19 min 42 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 36,132.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.87 MB
Peak swap size 11.42 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:46:38 (27996): wrapper (7.9.26016): starting
17:47:03 (27996): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A09_0.pdb
QB_A10_A09_0.xml
QB_A10_A09.inpcrd
QB_A10_A09_input.yaml
QB_A10_A09.pdb
QB_A10_A09.prmtop
QB_A10_A09_sys.xml
run.bat
run.sh
17:47:14 (27996): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:47:14 (27996): 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\4\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\4\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
02:44:39 (27996): C:/Windows/system32/cmd.exe exited; CPU time 23703.703125
02:44:39 (27996): 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: 778937273 bytes.
Dumping objects ->
{3835218} normal block at 0x0000017B93CC16B0, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835207} normal block at 0x0000017B93E055B0, 32 bytes long.
 Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835196} normal block at 0x0000017B93E04830, 32 bytes long.
 Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35 
{3835185} normal block at 0x0000017B93E04C50, 32 bytes long.
 Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835174} normal block at 0x0000017B93E043B0, 32 bytes long.
 Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C 
{3835143} normal block at 0x0000017B93CC1560, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835132} normal block at 0x0000017B93E14270, 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) : {3835128} normal block at 0x0000017B92056E00, 8 bytes long.
 Data: <   &#146;{   > 00 00 01 92 7B 01 00 00 
{3834530} normal block at 0x0000017B93E14820, 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 0x0000017B92056CC0, 8 bytes long.
 Data: <&#192; &#207;&#147;{   > C0 00 CF 93 7B 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000017B92061110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017B9205C510, 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 0x0000017B92062D80, 16 bytes long.
 Data: < 8 &#146;{           > 88 38 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017B92062C90, 16 bytes long.
 Data: <`8 &#146;{           > 60 38 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017B9205CCC0, 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 0x0000017B920629C0, 16 bytes long.
 Data: <88 &#146;{           > 38 38 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017B92063000, 16 bytes long.
 Data: < 8 &#146;{           > 10 38 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017B92062EC0, 16 bytes long.
 Data: <&#232;7 &#146;{           > E8 37 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017B92062920, 16 bytes long.
 Data: <&#192;7 &#146;{           > C0 37 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017B9205B810, 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 0x0000017B920628D0, 16 bytes long.
 Data: <H&#180; &#146;{           > 48 B4 04 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017B9205D440, 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 0x0000017B92062830, 16 bytes long.
 Data: < &#180; &#146;{           > 20 B4 04 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017B92062FB0, 16 bytes long.
 Data: <&#248;&#179; &#146;{           > F8 B3 04 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017B920627E0, 16 bytes long.
 Data: <&#208;&#179; &#146;{           > D0 B3 04 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017B920626F0, 16 bytes long.
 Data: <&#168;&#179; &#146;{           > A8 B3 04 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017B92062880, 16 bytes long.
 Data: < &#179; &#146;{           > 80 B3 04 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017B92062970, 16 bytes long.
 Data: <X&#179; &#146;{           > 58 B3 04 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017B9205C960, 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 0x0000017B920623D0, 16 bytes long.
 Data: <0&#179; &#146;{           > 30 B3 04 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017B9204B330, 320 bytes long.
 Data: <&#208;# &#146;{   `&#201; &#146;{   > D0 23 06 92 7B 01 00 00 60 C9 05 92 7B 01 00 00 
{270} normal block at 0x0000017B920621A0, 16 bytes long.
 Data: <&#160;7 &#146;{           > A0 37 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017B92062B50, 16 bytes long.
 Data: <x7 &#146;{           > 78 37 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017B9205CA80, 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 0x0000017B920626A0, 16 bytes long.
 Data: <P7 &#146;{           > 50 37 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017B9205C9C0, 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 0x0000017B92062790, 16 bytes long.
 Data: < 6 &#146;{           > 98 36 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017B92062600, 16 bytes long.
 Data: <p6 &#146;{           > 70 36 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017B92062380, 16 bytes long.
 Data: <H6 &#146;{           > 48 36 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017B92062240, 16 bytes long.
 Data: < 6 &#146;{           > 20 36 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017B920622E0, 16 bytes long.
 Data: <&#248;5 &#146;{           > F8 35 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017B92062290, 16 bytes long.
 Data: <&#208;5 &#146;{           > D0 35 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017B92062740, 16 bytes long.
 Data: < &#180; &#146;{           > 20 B4 05 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017B9205B420, 40 bytes long.
 Data: <@' &#146;{   ` &#204;&#147;{   > 40 27 06 92 7B 01 00 00 60 15 CC 93 7B 01 00 00 
{256} normal block at 0x0000017B92062CE0, 16 bytes long.
 Data: <&#176;5 &#146;{           > B0 35 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017B920625B0, 16 bytes long.
 Data: < 5 &#146;{           > 88 35 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017B9205D380, 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 0x0000017B92062E20, 16 bytes long.
 Data: <`5 &#146;{           > 60 35 06 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017B92063560, 992 bytes long.
 Data: < . &#146;{    &#211; &#146;{   > 20 2E 06 92 7B 01 00 00 80 D3 05 92 7B 01 00 00 
{88} normal block at 0x0000017B9205D140, 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 0x0000017B92056DB0, 16 bytes long.
 Data: <&#176;&#179; &#146;{           > B0 B3 05 92 7B 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000017B9205B3B0, 40 bytes long.
 Data: <&#176;m &#146;{   @&#209; &#146;{   > B0 6D 05 92 7B 01 00 00 40 D1 05 92 7B 01 00 00 
{65} normal block at 0x0000017B92056BD0, 16 bytes long.
 Data: < &#234;k&#156;&#247;           > 80 EA 6B 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017B92056D60, 16 bytes long.
 Data: <@&#233;k&#156;&#247;           > 40 E9 6B 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017B92056B80, 16 bytes long.
 Data: <&#248;Wh&#156;&#247;           > F8 57 68 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017B92057260, 16 bytes long.
 Data: <&#216;Wh&#156;&#247;           > D8 57 68 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017B920573F0, 16 bytes long.
 Data: <P h&#156;&#247;           > 50 04 68 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017B920573A0, 16 bytes long.
 Data: <0 h&#156;&#247;           > 30 04 68 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017B92057170, 16 bytes long.
 Data: <&#224; h&#156;&#247;           > E0 02 68 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017B92056B30, 16 bytes long.
 Data: <  h&#156;&#247;           > 10 04 68 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017B92057350, 16 bytes long.
 Data: <p h&#156;&#247;           > 70 04 68 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017B92056AE0, 16 bytes long.
 Data: < &#192;f&#156;&#247;           > 18 C0 66 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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