Task 38629234

Name JNK1_RE_A15_A20_r0_4-QUICO_ATM_OpenFF23_NAGL_JNK1_RE-2-6-RND8035_0
Workunit 31578747
Created 25 Apr 2026, 2:12:56 UTC
Sent 25 Apr 2026, 2:13:03 UTC
Report deadline 30 Apr 2026, 2:13:03 UTC
Received 25 Apr 2026, 16:11:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639237
Run time 4 hours 10 min 22 sec
CPU time 4 hours 10 min 22 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 29,330.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.57 MB
Peak swap size 9.95 GB
Peak disk usage 3.09 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:03:54 (12052): wrapper (7.9.26016): starting
07:03:54 (12052): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A20_0.pdb
QB_A15_A20_0.xml
QB_A15_A20.inpcrd
QB_A15_A20_input.yaml
QB_A15_A20.pdb
QB_A15_A20.prmtop
QB_A15_A20_sys.xml
run.bat
run.sh
07:03:55 (12052): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:03:55 (12052): 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 'D:\BOINCData\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 'D:\BOINCData\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
11:07:19 (12052): C:/Windows/system32/cmd.exe exited; CPU time 15022.343750
11:07:19 (12052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 192489119 bytes.
Dumping objects ->
{3835219} normal block at 0x0000028D7F1C4660, 48 bytes long.
 Data: <PATH=D:\BOINCDat> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 61 74 
{3835208} normal block at 0x0000028D7FC61770, 32 bytes long.
 Data: <HOME=D:\BOINCDat> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 44 61 74 
{3835197} normal block at 0x0000028D7FC60990, 32 bytes long.
 Data: <TMP=D:\BOINCData> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 61 74 61 
{3835186} normal block at 0x0000028D7FC60E70, 32 bytes long.
 Data: <TEMP=D:\BOINCDat> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 61 74 
{3835175} normal block at 0x0000028D7FC60FF0, 32 bytes long.
 Data: <TMPDIR=D:\BOINCD> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 44 
{3835144} normal block at 0x0000028D7F1C43C0, 48 bytes long.
 Data: <PATH=D:\BOINCDat> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 61 74 
{3835133} normal block at 0x0000028D7FC2E6C0, 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) : {3835130} normal block at 0x0000028D7F1BD650, 8 bytes long.
 Data: <  z     > 00 00 7A 7F 8D 02 00 00 
{3834534} normal block at 0x0000028D7FC2E090, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000028D7F1BD8D0, 8 bytes long.
 Data: <p&#214;      > 70 D6 1A 7F 8D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000028D7F1B1660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028D7F1AECA0, 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 0x0000028D7F1C5CA0, 16 bytes long.
 Data: <&#184;b              > B8 62 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028D7F1C50C0, 16 bytes long.
 Data: < b              > 90 62 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028D7F1C11C0, 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 0x0000028D7F1C5200, 16 bytes long.
 Data: <hb              > 68 62 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028D7F1C5CF0, 16 bytes long.
 Data: <@b              > 40 62 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028D7F1C5520, 16 bytes long.
 Data: < b              > 18 62 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028D7F1C5E30, 16 bytes long.
 Data: <&#240;a              > F0 61 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028D7F1C4740, 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 0x0000028D7F1C55C0, 16 bytes long.
 Data: <&#232;               > E8 13 1B 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028D7F1C0800, 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 0x0000028D7F1C5750, 16 bytes long.
 Data: <&#192;               > C0 13 1B 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028D7F1C59D0, 16 bytes long.
 Data: <                > 98 13 1B 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028D7F1C57A0, 16 bytes long.
 Data: <p               > 70 13 1B 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028D7F1C5980, 16 bytes long.
 Data: <H               > 48 13 1B 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028D7F1C52F0, 16 bytes long.
 Data: <                > 20 13 1B 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028D7F1C5700, 16 bytes long.
 Data: <&#248;               > F8 12 1B 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028D7F1C1040, 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 0x0000028D7F1C4FD0, 16 bytes long.
 Data: <&#208;               > D0 12 1B 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028D7F1B12D0, 320 bytes long.
 Data: <&#208;O      @       > D0 4F 1C 7F 8D 02 00 00 40 10 1C 7F 8D 02 00 00 
{274} normal block at 0x0000028D7F1C5AC0, 16 bytes long.
 Data: <&#208;a              > D0 61 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028D7F1C5B60, 16 bytes long.
 Data: <&#168;a              > A8 61 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028D7F1C05C0, 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 0x0000028D7F1C5480, 16 bytes long.
 Data: < a              > 80 61 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028D7F1C13A0, 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 0x0000028D7F1C5F20, 16 bytes long.
 Data: <&#200;`              > C8 60 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028D7F1C5430, 16 bytes long.
 Data: <&#160;`              > A0 60 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028D7F1C58E0, 16 bytes long.
 Data: <x`              > 78 60 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028D7F1C5ED0, 16 bytes long.
 Data: <P`              > 50 60 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028D7F1C5C50, 16 bytes long.
 Data: <(`              > 28 60 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028D7F1C52A0, 16 bytes long.
 Data: < `              > 00 60 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028D7F1C5BB0, 16 bytes long.
 Data: <&#224;I              > E0 49 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028D7F1C49E0, 40 bytes long.
 Data: <&#176;[      &#192;C      > B0 5B 1C 7F 8D 02 00 00 C0 43 1C 7F 8D 02 00 00 
{260} normal block at 0x0000028D7F1C5110, 16 bytes long.
 Data: <&#224;_              > E0 5F 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028D7F1C5250, 16 bytes long.
 Data: <&#184;_              > B8 5F 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028D7F1C09E0, 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 0x0000028D7F1C53E0, 16 bytes long.
 Data: < _              > 90 5F 1C 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028D7F1C5F90, 992 bytes long.
 Data: <&#224;S      &#224;	      > E0 53 1C 7F 8D 02 00 00 E0 09 1C 7F 8D 02 00 00 
{92} normal block at 0x0000028D7F1C0FE0, 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 0x0000028D7F1BD240, 16 bytes long.
 Data: <0&#253;              > 30 FD 1A 7F 8D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000028D7F1AFD30, 40 bytes long.
 Data: <@&#210;      &#224;       > 40 D2 1B 7F 8D 02 00 00 E0 0F 1C 7F 8D 02 00 00 
{69} normal block at 0x0000028D7F1BD470, 16 bytes long.
 Data: < &#234;&#180; &#246;           > 80 EA B4 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028D7F1BD010, 16 bytes long.
 Data: <@&#233;&#180; &#246;           > 40 E9 B4 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028D7F1BD060, 16 bytes long.
 Data: <&#248;W&#177; &#246;           > F8 57 B1 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028D7F1BD740, 16 bytes long.
 Data: <&#216;W&#177; &#246;           > D8 57 B1 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028D7F1BD1F0, 16 bytes long.
 Data: <P &#177; &#246;           > 50 04 B1 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028D7F1BCD90, 16 bytes long.
 Data: <0 &#177; &#246;           > 30 04 B1 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028D7F1BCF20, 16 bytes long.
 Data: <&#224; &#177; &#246;           > E0 02 B1 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028D7F1BD830, 16 bytes long.
 Data: <  &#177; &#246;           > 10 04 B1 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028D7F1BDA10, 16 bytes long.
 Data: <p &#177; &#246;           > 70 04 B1 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028D7F1BD6F0, 16 bytes long.
 Data: < &#192;&#175; &#246;           > 18 C0 AF 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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