Task 38605791

Name JNK1_A10_A16_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1-3-6-RND1206_1
Workunit 31559615
Created 14 Apr 2026, 3:20:25 UTC
Sent 14 Apr 2026, 3:20:30 UTC
Report deadline 19 Apr 2026, 3:20:30 UTC
Received 14 Apr 2026, 18:11:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651994
Run time 4 hours 30 min 4 sec
CPU time 4 hours 30 min 4 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 50,489.32 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.13 MB
Peak swap size 13.03 GB
Peak disk usage 3.07 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:11:55 (52904): wrapper (7.9.26016): starting
15:11:55 (52904): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A16_0.pdb
QB_A10_A16_0.xml
QB_A10_A16.inpcrd
QB_A10_A16_input.yaml
QB_A10_A16.pdb
QB_A10_A16.prmtop
QB_A10_A16_sys.xml
run.bat
run.sh
15:11:56 (52904): Library/usr/bin/tar.exe exited; CPU time 0.046875
15:11:56 (52904): 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\004\slots\2\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\004\slots\2\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
20:07:59 (52904): C:/Windows/system32/cmd.exe exited; CPU time 16204.109375
20:07:59 (52904): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 564566867 bytes.
Dumping objects ->
{3835556} normal block at 0x0000014FFB684B40, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835545} normal block at 0x0000014FFD366AA0, 32 bytes long.
 Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835534} normal block at 0x0000014FFD366860, 32 bytes long.
 Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34 
{3835523} normal block at 0x0000014FFD3669E0, 32 bytes long.
 Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835512} normal block at 0x0000014FFD366740, 32 bytes long.
 Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C 
{3835481} normal block at 0x0000014FFB684BB0, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835470} normal block at 0x0000014FFB6EA1F0, 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) : {3835467} normal block at 0x0000014FFB67D980, 8 bytes long.
 Data: <  &#164;&#251;O   > 00 00 A4 FB 4F 01 00 00 
{3834691} normal block at 0x0000014FFB6E9AA0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000014FFB67D020, 8 bytes long.
 Data: <0&#215;f&#251;O   > 30 D7 66 FB 4F 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000014FFB6709E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014FFB672240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000014FFB6856F0, 16 bytes long.
 Data: <&#184;fh&#251;O           > B8 66 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000014FFB6856A0, 16 bytes long.
 Data: < fh&#251;O           > 90 66 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014FFB680A20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000014FFB6862D0, 16 bytes long.
 Data: <hfh&#251;O           > 68 66 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014FFB685560, 16 bytes long.
 Data: <@fh&#251;O           > 40 66 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014FFB685740, 16 bytes long.
 Data: < fh&#251;O           > 18 66 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014FFB685470, 16 bytes long.
 Data: <&#240;eh&#251;O           > F0 65 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014FFB684EC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000014FFB685E70, 16 bytes long.
 Data: <h g&#251;O           > 68 07 67 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014FFB680DE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000014FFB686050, 16 bytes long.
 Data: <@ g&#251;O           > 40 07 67 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014FFB685F10, 16 bytes long.
 Data: <  g&#251;O           > 18 07 67 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014FFB686000, 16 bytes long.
 Data: <&#240; g&#251;O           > F0 06 67 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014FFB685600, 16 bytes long.
 Data: <&#200; g&#251;O           > C8 06 67 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014FFB6854C0, 16 bytes long.
 Data: <&#160; g&#251;O           > A0 06 67 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014FFB686230, 16 bytes long.
 Data: <x g&#251;O           > 78 06 67 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014FFB6809C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000014FFB6855B0, 16 bytes long.
 Data: <P g&#251;O           > 50 06 67 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014FFB670650, 320 bytes long.
 Data: <&#176;Uh&#251;O   &#192;	h&#251;O   > B0 55 68 FB 4F 01 00 00 C0 09 68 FB 4F 01 00 00 
{277} normal block at 0x0000014FFB6861E0, 16 bytes long.
 Data: <&#208;eh&#251;O           > D0 65 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014FFB6858D0, 16 bytes long.
 Data: <&#168;eh&#251;O           > A8 65 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014FFB681140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000014FFB685F60, 16 bytes long.
 Data: < eh&#251;O           > 80 65 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014FFB6812C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000014FFB685650, 16 bytes long.
 Data: <&#200;dh&#251;O           > C8 64 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014FFB685C90, 16 bytes long.
 Data: <&#160;dh&#251;O           > A0 64 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014FFB685A60, 16 bytes long.
 Data: <xdh&#251;O           > 78 64 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014FFB685C40, 16 bytes long.
 Data: <Pdh&#251;O           > 50 64 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014FFB686320, 16 bytes long.
 Data: <(dh&#251;O           > 28 64 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014FFB685880, 16 bytes long.
 Data: < dh&#251;O           > 00 64 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014FFB685510, 16 bytes long.
 Data: <0Hh&#251;O           > 30 48 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014FFB684830, 40 bytes long.
 Data: < Uh&#251;O   &#176;Kh&#251;O   > 10 55 68 FB 4F 01 00 00 B0 4B 68 FB 4F 01 00 00 
{263} normal block at 0x0000014FFB6853D0, 16 bytes long.
 Data: <&#224;ch&#251;O           > E0 63 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014FFB686190, 16 bytes long.
 Data: <&#184;ch&#251;O           > B8 63 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014FFB681620, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000014FFB6860F0, 16 bytes long.
 Data: < ch&#251;O           > 90 63 68 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014FFB686390, 992 bytes long.
 Data: <&#240;`h&#251;O     h&#251;O   > F0 60 68 FB 4F 01 00 00 20 16 68 FB 4F 01 00 00 
{95} normal block at 0x0000014FFB681560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000014FFB67DBB0, 16 bytes long.
 Data: <&#160;&#198;f&#251;O           > A0 C6 66 FB 4F 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000014FFB66C6A0, 40 bytes long.
 Data: <&#176;&#219;g&#251;O   ` h&#251;O   > B0 DB 67 FB 4F 01 00 00 60 15 68 FB 4F 01 00 00 
{72} normal block at 0x0000014FFB67D2A0, 16 bytes long.
 Data: < &#234;&#132;&#251;&#246;           > 80 EA 84 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000014FFB67D160, 16 bytes long.
 Data: <@&#233;&#132;&#251;&#246;           > 40 E9 84 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000014FFB67D750, 16 bytes long.
 Data: <&#248;W &#251;&#246;           > F8 57 81 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014FFB67D610, 16 bytes long.
 Data: <&#216;W &#251;&#246;           > D8 57 81 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014FFB67DED0, 16 bytes long.
 Data: <P  &#251;&#246;           > 50 04 81 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014FFB67D890, 16 bytes long.
 Data: <0  &#251;&#246;           > 30 04 81 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014FFB67DB10, 16 bytes long.
 Data: <&#224;  &#251;&#246;           > E0 02 81 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014FFB67D8E0, 16 bytes long.
 Data: <   &#251;&#246;           > 10 04 81 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014FFB67DC50, 16 bytes long.
 Data: <p  &#251;&#246;           > 70 04 81 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014FFB67D930, 16 bytes long.
 Data: < &#192; &#251;&#246;           > 18 C0 7F FB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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