Task 38599820

Name JNK1_A10_A09_r0_5-QUICO_ATM_GAFF2_NAGL_JNK1-0-6-RND6686_5
Workunit 31552665
Created 8 Apr 2026, 21:37:40 UTC
Sent 8 Apr 2026, 21:37:41 UTC
Report deadline 13 Apr 2026, 21:37:41 UTC
Received 9 Apr 2026, 1:53:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 3 hours 22 min 55 sec
CPU time 3 hours 22 min 14 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 29,155.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.97 MB
Peak swap size 6.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:30:11 (45340): wrapper (7.9.26016): starting
15:30:11 (45340): 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
15:30:12 (45340): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:30:12 (45340): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
18:52:24 (45340): C:/Windows/system32/cmd.exe exited; CPU time 12134.421875
18:52:24 (45340): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 311121425 bytes.
Dumping objects ->
{3835628} normal block at 0x0000020032A59230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835617} normal block at 0x0000020030D95B00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835606} normal block at 0x0000020030D96190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835595} normal block at 0x0000020030D96120, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835584} normal block at 0x0000020030D96040, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835553} normal block at 0x0000020032A0C690, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x0000020032A1FEB0, 102 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) : {3835539} normal block at 0x0000020030D8E2B0, 8 bytes long.
 Data: <   1    > 00 00 13 31 00 02 00 00 
{3834728} normal block at 0x0000020032A1FE00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000020030D8E080, 8 bytes long.
 Data: <P&#235;&#132;2    > 50 EB 84 32 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000020030D811A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020030D82240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000020030D97070, 16 bytes long.
 Data: <&#248;y&#217;0            > F8 79 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020030D97520, 16 bytes long.
 Data: <&#208;y&#217;0            > D0 79 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020030D90B20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000020030D97480, 16 bytes long.
 Data: <&#168;y&#217;0            > A8 79 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020030D97430, 16 bytes long.
 Data: < y&#217;0            > 80 79 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020030D968A0, 16 bytes long.
 Data: <Xy&#217;0            > 58 79 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020030D96CB0, 16 bytes long.
 Data: <0y&#217;0            > 30 79 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020030D95BE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000020030D975C0, 16 bytes long.
 Data: < &#251;&#215;0            > 88 FB D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020030D90AC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000020030D96EE0, 16 bytes long.
 Data: <`&#251;&#215;0            > 60 FB D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020030D968F0, 16 bytes long.
 Data: <8&#251;&#215;0            > 38 FB D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020030D96850, 16 bytes long.
 Data: < &#251;&#215;0            > 10 FB D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020030D96A30, 16 bytes long.
 Data: <&#232;&#250;&#215;0            > E8 FA D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020030D96F80, 16 bytes long.
 Data: <&#192;&#250;&#215;0            > C0 FA D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020030D96BC0, 16 bytes long.
 Data: < &#250;&#215;0            > 98 FA D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020030D90DC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000020030D96800, 16 bytes long.
 Data: <p&#250;&#215;0            > 70 FA D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020030D7FA70, 320 bytes long.
 Data: < h&#217;0    &#192; &#217;0    > 00 68 D9 30 00 02 00 00 C0 0D D9 30 00 02 00 00 
{279} normal block at 0x0000020030D96C60, 16 bytes long.
 Data: < y&#217;0            > 10 79 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020030D967B0, 16 bytes long.
 Data: <&#232;x&#217;0            > E8 78 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020030D90220, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000020030D973E0, 16 bytes long.
 Data: <&#192;x&#217;0            > C0 78 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020030D902E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000020030D96760, 16 bytes long.
 Data: < x&#217;0            > 08 78 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020030D97390, 16 bytes long.
 Data: <&#224;w&#217;0            > E0 77 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020030D974D0, 16 bytes long.
 Data: <&#184;w&#217;0            > B8 77 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020030D97340, 16 bytes long.
 Data: < w&#217;0            > 90 77 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020030D96C10, 16 bytes long.
 Data: <hw&#217;0            > 68 77 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020030D97160, 16 bytes long.
 Data: <@w&#217;0            > 40 77 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020030D972F0, 16 bytes long.
 Data: <0]&#217;0            > 30 5D D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020030D95D30, 40 bytes long.
 Data: <&#240;r&#217;0     &#198;&#160;2    > F0 72 D9 30 00 02 00 00 90 C6 A0 32 00 02 00 00 
{265} normal block at 0x0000020030D972A0, 16 bytes long.
 Data: < w&#217;0            > 20 77 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020030D97200, 16 bytes long.
 Data: <&#248;v&#217;0            > F8 76 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020030D90160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000020030D97610, 16 bytes long.
 Data: <&#208;v&#217;0            > D0 76 D9 30 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020030D976D0, 992 bytes long.
 Data: < v&#217;0    ` &#217;0    > 10 76 D9 30 00 02 00 00 60 01 D9 30 00 02 00 00 
{97} normal block at 0x0000020030D90880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000020030D8E580, 16 bytes long.
 Data: <&#176;&#219;&#215;0            > B0 DB D7 30 00 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000020030D7DBB0, 40 bytes long.
 Data: < &#229;&#216;0      &#217;0    > 80 E5 D8 30 00 02 00 00 80 08 D9 30 00 02 00 00 
{74} normal block at 0x0000020030D8ECB0, 16 bytes long.
 Data: < &#234;&#177;&#231;&#247;           > 80 EA B1 E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020030D8E030, 16 bytes long.
 Data: <@&#233;&#177;&#231;&#247;           > 40 E9 B1 E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020030D8EBC0, 16 bytes long.
 Data: <&#248;W&#174;&#231;&#247;           > F8 57 AE E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020030D8E3A0, 16 bytes long.
 Data: <&#216;W&#174;&#231;&#247;           > D8 57 AE E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020030D8DFE0, 16 bytes long.
 Data: <P &#174;&#231;&#247;           > 50 04 AE E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020030D8E850, 16 bytes long.
 Data: <0 &#174;&#231;&#247;           > 30 04 AE E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020030D8E440, 16 bytes long.
 Data: <&#224; &#174;&#231;&#247;           > E0 02 AE E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020030D8DEA0, 16 bytes long.
 Data: <  &#174;&#231;&#247;           > 10 04 AE E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020030D8EA80, 16 bytes long.
 Data: <p &#174;&#231;&#247;           > 70 04 AE E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020030D8E710, 16 bytes long.
 Data: < &#192;&#172;&#231;&#247;           > 18 C0 AC E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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