Task 38612508

Name JNK1_A02_A07_r0_1-QUICO_ATM_OpenFF_JNK1-4-6-RND1187_1
Workunit 31564993
Created 16 Apr 2026, 8:04:53 UTC
Sent 16 Apr 2026, 8:04:57 UTC
Report deadline 21 Apr 2026, 8:04:57 UTC
Received 16 Apr 2026, 16:23:46 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 557874
Run time 5 hours 28 min 34 sec
CPU time 5 hours 28 min 34 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 11,157.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 604.64 MB
Peak swap size 3.72 GB
Peak disk usage 4.48 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
03:46:51 (78984): wrapper (7.9.26016): starting
03:46:51 (78984): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A07_0.pdb
QB_A02_A07_0.xml
QB_A02_A07.inpcrd
QB_A02_A07_input.yaml
QB_A02_A07.pdb
QB_A02_A07.prmtop
QB_A02_A07_sys.xml
run.bat
run.sh
03:46:53 (78984): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:46:53 (78984): 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\1\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\1\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835292} normal block at 0x000001B790BB84B0, 8 bytes long.
 Data: <        > 00 00 B7 90 B7 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833988} normal block at 0x000001B792704310, 1080 bytes long.
 Data: <86      <       > 38 36 01 00 CD CD CD CD 3C 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001B790BC19C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
10:11:15 (80012): wrapper (7.9.26016): starting
10:11:15 (80012): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849975} normal block at 0x0000016F53C784B0, 8 bytes long.
 Data: <  iUo   > 00 00 69 55 6F 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848671} normal block at 0x0000016F53CAB310, 1080 bytes long.
 Data: <p2      h       > 70 32 00 00 CD CD CD CD 68 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000016F53C819C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
10:30:23 (73548): wrapper (7.9.26016): starting
10:30:23 (73548): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
11:21:57 (73548): C:/Windows/system32/cmd.exe exited; CPU time 758.015625
11:21:57 (73548): app exit status: 0x16
11:21:57 (73548): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 57475955 bytes.
Dumping objects ->
{3850064} normal block at 0x000001E140AD0D80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850053} normal block at 0x000001E140AD1100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850042} normal block at 0x000001E140AD1090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850031} normal block at 0x000001E140AD1020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850020} normal block at 0x000001E140AD0F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3849989} normal block at 0x000001E140BF5330, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849978} normal block at 0x000001E140C0C510, 85 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) : {3849975} normal block at 0x000001E13F1178D0, 8 bytes long.
 Data: <   ?&#225;   > 00 00 0E 3F E1 01 00 00 
{3849309} normal block at 0x000001E140C0D870, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3848672} normal block at 0x000001E13F118500, 8 bytes long.
 Data: <&#224;I&#200;@&#225;   > E0 49 C8 40 E1 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001E13F1219C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001E13F123790, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000001E13F1236D0, 16 bytes long.
 Data: <&#168;O ?&#225;           > A8 4F 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001E13F123040, 16 bytes long.
 Data: < O ?&#225;           > 80 4F 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001E13F11CB70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000001E13F123310, 16 bytes long.
 Data: <XO ?&#225;           > 58 4F 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001E13F123220, 16 bytes long.
 Data: <0O ?&#225;           > 30 4F 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001E13F122FA0, 16 bytes long.
 Data: < O ?&#225;           > 08 4F 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E13F123680, 16 bytes long.
 Data: <&#224;N ?&#225;           > E0 4E 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001E13F11D560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000001E13F122F50, 16 bytes long.
 Data: <&#184;&#236; ?&#225;           > B8 EC 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E13F11C4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000001E13F122EB0, 16 bytes long.
 Data: < &#236; ?&#225;           > 90 EC 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E13F122CD0, 16 bytes long.
 Data: <h&#236; ?&#225;           > 68 EC 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E13F1232C0, 16 bytes long.
 Data: <@&#236; ?&#225;           > 40 EC 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E13F1231D0, 16 bytes long.
 Data: < &#236; ?&#225;           > 18 EC 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E13F122B90, 16 bytes long.
 Data: <&#240;&#235; ?&#225;           > F0 EB 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E13F1228C0, 16 bytes long.
 Data: <&#200;&#235; ?&#225;           > C8 EB 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E13F11CAB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000001E13F123270, 16 bytes long.
 Data: <&#160;&#235; ?&#225;           > A0 EB 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E13F11EBA0, 320 bytes long.
 Data: <p2 ?&#225;   &#176;&#202; ?&#225;   > 70 32 12 3F E1 01 00 00 B0 CA 11 3F E1 01 00 00 
{290} normal block at 0x000001E13F123180, 16 bytes long.
 Data: <&#192;N ?&#225;           > C0 4E 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E13F122870, 16 bytes long.
 Data: < N ?&#225;           > 98 4E 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E13F11D050, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000001E13F1234A0, 16 bytes long.
 Data: <pN ?&#225;           > 70 4E 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E13F11CA50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000001E13F122DC0, 16 bytes long.
 Data: <&#184;M ?&#225;           > B8 4D 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E13F122C80, 16 bytes long.
 Data: < M ?&#225;           > 90 4D 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E13F122960, 16 bytes long.
 Data: <hM ?&#225;           > 68 4D 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E13F1227D0, 16 bytes long.
 Data: <@M ?&#225;           > 40 4D 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E13F122B40, 16 bytes long.
 Data: < M ?&#225;           > 18 4D 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E13F1235E0, 16 bytes long.
 Data: <&#240;L ?&#225;           > F0 4C 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E13F122AF0, 16 bytes long.
 Data: <&#192;&#217; ?&#225;           > C0 D9 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E13F11D9C0, 40 bytes long.
 Data: <&#240;* ?&#225;   0S&#191;@&#225;   > F0 2A 12 3F E1 01 00 00 30 53 BF 40 E1 01 00 00 
{276} normal block at 0x000001E13F122A50, 16 bytes long.
 Data: <&#208;L ?&#225;           > D0 4C 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E13F122E60, 16 bytes long.
 Data: <&#168;L ?&#225;           > A8 4C 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E13F11D110, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000001E13F122BE0, 16 bytes long.
 Data: < L ?&#225;           > 80 4C 12 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E13F124C80, 992 bytes long.
 Data: <&#224;+ ?&#225;    &#209; ?&#225;   > E0 2B 12 3F E1 01 00 00 10 D1 11 3F E1 01 00 00 
{108} normal block at 0x000001E13F11C870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001E13F117B00, 16 bytes long.
 Data: <@&#214; ?&#225;           > 40 D6 11 3F E1 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001E13F11D640, 40 bytes long.
 Data: < { ?&#225;   p&#200; ?&#225;   > 00 7B 11 3F E1 01 00 00 70 C8 11 3F E1 01 00 00 
{85} normal block at 0x000001E13F1184B0, 16 bytes long.
 Data: < &#234;&#155;&#170;&#247;           > 80 EA 9B AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001E13F118370, 16 bytes long.
 Data: <@&#233;&#155;&#170;&#247;           > 40 E9 9B AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001E13F1182D0, 16 bytes long.
 Data: <&#248;W &#170;&#247;           > F8 57 98 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E13F118280, 16 bytes long.
 Data: <&#216;W &#170;&#247;           > D8 57 98 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001E13F117AB0, 16 bytes long.
 Data: <P  &#170;&#247;           > 50 04 98 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001E13F118550, 16 bytes long.
 Data: <0  &#170;&#247;           > 30 04 98 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001E13F117C40, 16 bytes long.
 Data: <&#224;  &#170;&#247;           > E0 02 98 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001E13F117E20, 16 bytes long.
 Data: <   &#170;&#247;           > 10 04 98 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001E13F118230, 16 bytes long.
 Data: <p  &#170;&#247;           > 70 04 98 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001E13F1181E0, 16 bytes long.
 Data: < &#192;&#150;&#170;&#247;           > 18 C0 96 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra