Task 38600058

Name JNK1_A10_A09_r0_1-QUICO_ATM_GAFF2_NAGL_JNK1-1-6-RND8341_0
Workunit 31554849
Created 8 Apr 2026, 23:40:18 UTC
Sent 8 Apr 2026, 23:40:20 UTC
Report deadline 13 Apr 2026, 23:40:20 UTC
Received 9 Apr 2026, 3:51:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648012
Run time 4 hours 10 min 23 sec
CPU time 4 hours 10 min 23 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 26,737.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.69 MB
Peak swap size 9.96 GB
Peak disk usage 3.07 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:45:34 (33260): wrapper (7.9.26016): starting
16:45:34 (33260): 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
16:45:35 (33260): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:45:35 (33260): 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
20:51:28 (33260): C:/Windows/system32/cmd.exe exited; CPU time 15023.671875
20:51:28 (33260): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 264525105 bytes.
Dumping objects ->
{3835428} normal block at 0x0000021C0E395FD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x0000021C0E395E80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835406} normal block at 0x0000021C0E396510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835395} normal block at 0x0000021C0E395F60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x0000021C0E396120, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835353} normal block at 0x0000021C1027A4B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835340} normal block at 0x0000021C0E38D9C0, 8 bytes long.
 Data: <  &#241;     > 00 00 F1 0F 1C 02 00 00 
{3833957} normal block at 0x0000021C0E38D510, 8 bytes long.
 Data: <&#192;E-     > C0 45 2D 10 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021C0E381390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021C0E381CE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000021C0E3947E0, 16 bytes long.
 Data: <8]9             > 38 5D 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021C0E3951E0, 16 bytes long.
 Data: < ]9             > 10 5D 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021C0E391330, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000021C0E394D30, 16 bytes long.
 Data: <&#232;\9             > E8 5C 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021C0E395190, 16 bytes long.
 Data: <&#192;\9             > C0 5C 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021C0E395000, 16 bytes long.
 Data: < \9             > 98 5C 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021C0E394BA0, 16 bytes long.
 Data: <p\9             > 70 5C 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021C0E396350, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000021C0E394FB0, 16 bytes long.
 Data: <  8             > 18 07 38 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021C0E390A30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000021C0E394A10, 16 bytes long.
 Data: <&#240; 8             > F0 06 38 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021C0E395140, 16 bytes long.
 Data: <&#200; 8             > C8 06 38 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021C0E3949C0, 16 bytes long.
 Data: <&#160; 8             > A0 06 38 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021C0E394F60, 16 bytes long.
 Data: <x 8             > 78 06 38 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021C0E3954B0, 16 bytes long.
 Data: <P 8             > 50 06 38 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021C0E394880, 16 bytes long.
 Data: <( 8             > 28 06 38 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021C0E390F10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000021C0E394CE0, 16 bytes long.
 Data: <  8             > 00 06 38 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021C0E380600, 320 bytes long.
 Data: <&#224;L9       9     > E0 4C 39 0E 1C 02 00 00 10 0F 39 0E 1C 02 00 00 
{274} normal block at 0x0000021C0E394740, 16 bytes long.
 Data: <P\9             > 50 5C 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021C0E395460, 16 bytes long.
 Data: <(\9             > 28 5C 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021C0E391510, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000021C0E394970, 16 bytes long.
 Data: < \9             > 00 5C 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021C0E390F70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000021C0E3953C0, 16 bytes long.
 Data: <H[9             > 48 5B 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021C0E3950F0, 16 bytes long.
 Data: < [9             > 20 5B 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021C0E395370, 16 bytes long.
 Data: <&#248;Z9             > F8 5A 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021C0E394F10, 16 bytes long.
 Data: <&#208;Z9             > D0 5A 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021C0E3946A0, 16 bytes long.
 Data: <&#168;Z9             > A8 5A 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021C0E395410, 16 bytes long.
 Data: < Z9             > 80 5A 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021C0E395320, 16 bytes long.
 Data: <0&#210;7             > 30 D2 37 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021C0E37D230, 40 bytes long.
 Data: < S9     &#176;&#164;'     > 20 53 39 0E 1C 02 00 00 B0 A4 27 10 1C 02 00 00 
{260} normal block at 0x0000021C0E394EC0, 16 bytes long.
 Data: <`Z9             > 60 5A 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021C0E394B50, 16 bytes long.
 Data: <8Z9             > 38 5A 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021C0E3912D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000021C0E395280, 16 bytes long.
 Data: < Z9             > 10 5A 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021C0E395A10, 992 bytes long.
 Data: < R9     &#208; 9     > 80 52 39 0E 1C 02 00 00 D0 12 39 0E 1C 02 00 00 
{92} normal block at 0x0000021C0E390C10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000021C0E38DCE0, 16 bytes long.
 Data: <0 9             > 30 06 39 0E 1C 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021C0E390630, 40 bytes long.
 Data: <&#224;&#220;8       9     > E0 DC 38 0E 1C 02 00 00 10 0C 39 0E 1C 02 00 00 
{69} normal block at 0x0000021C0E38D240, 16 bytes long.
 Data: < &#234;&#166;&#249;&#246;           > 80 EA A6 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021C0E38DDD0, 16 bytes long.
 Data: <@&#233;&#166;&#249;&#246;           > 40 E9 A6 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021C0E38D1F0, 16 bytes long.
 Data: <&#248;W&#163;&#249;&#246;           > F8 57 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021C0E38D3D0, 16 bytes long.
 Data: <&#216;W&#163;&#249;&#246;           > D8 57 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021C0E38D880, 16 bytes long.
 Data: <P &#163;&#249;&#246;           > 50 04 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021C0E38D830, 16 bytes long.
 Data: <0 &#163;&#249;&#246;           > 30 04 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021C0E38D4C0, 16 bytes long.
 Data: <&#224; &#163;&#249;&#246;           > E0 02 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021C0E38DB50, 16 bytes long.
 Data: <  &#163;&#249;&#246;           > 10 04 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021C0E38D7E0, 16 bytes long.
 Data: <p &#163;&#249;&#246;           > 70 04 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021C0E38D290, 16 bytes long.
 Data: < &#192;&#161;&#249;&#246;           > 18 C0 A1 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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