Task 38623507

Name p38_2_A04_A01_r0_1-QUICO_ATM_GAFF2_NAGL_p38_2-4-6-RND3140_0
Workunit 31574108
Created 21 Apr 2026, 14:42:26 UTC
Sent 21 Apr 2026, 14:42:31 UTC
Report deadline 26 Apr 2026, 14:42:31 UTC
Received 22 Apr 2026, 18:34:05 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 608298
Run time 4 hours 41 min 31 sec
CPU time 4 hours 29 min 43 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,507.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 644.42 MB
Peak swap size 9.89 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
���������� ������� �� ����� �������� .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:25:35 (12012): wrapper (7.9.26016): starting
12:25:35 (12012): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A01_0.pdb
QB_A04_A01_0.xml
QB_A04_A01.inpcrd
QB_A04_A01_input.yaml
QB_A04_A01.pdb
QB_A04_A01.prmtop
QB_A04_A01_sys.xml
run.bat
run.sh
12:25:40 (12012): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:25:40 (12012): 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\6\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\6\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) : {3835504} normal block at 0x000001FE5DFEE940, 8 bytes long.
 Data: <   _    > 00 00 C5 5F FE 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001FE5FC4E770, 1080 bytes long.
 Data: < >              > F8 3E 00 00 CD CD CD CD F4 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001FE5DFE4BB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
14:35:50 (18496): wrapper (7.9.26016): starting
14:35:50 (18496): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\6\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
21:23:44 (18496): C:/Windows/system32/cmd.exe exited; CPU time 23371.828125
21:23:44 (18496): app exit status: 0x40010004
21:23:44 (18496): called boinc_finish(195)
0 bytes in 0 Free Blocks.
766 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: 395658238 bytes.
Dumping objects ->
{1937} normal block at 0x0000022BDB637130, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1926} normal block at 0x0000022BDB636B80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1915} normal block at 0x0000022BDB6371A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1904} normal block at 0x0000022BDB6370C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1893} normal block at 0x0000022BDB636FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1862} normal block at 0x0000022BDB6243A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1851} normal block at 0x0000022BDB625670, 255 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) : {1848} normal block at 0x0000022BDB638C80, 8 bytes long.
 Data: <    +   > 00 00 C7 DB 2B 02 00 00 
{1064} normal block at 0x0000022BDB625530, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{307} normal block at 0x0000022BDB638D70, 8 bytes long.
 Data: <  c +   > B0 9B 63 DB 2B 02 00 00 
{298} normal block at 0x0000022BDB6169A0, 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 0x0000022BDB639040, 16 bytes long.
 Data: <  c +           > B8 9A 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022BDB638E10, 16 bytes long.
 Data: <  c +           > 90 9A 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022BDB632900, 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 0x0000022BDB639400, 16 bytes long.
 Data: <h c +           > 68 9A 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022BDB639360, 16 bytes long.
 Data: <@ c +           > 40 9A 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022BDB638AA0, 16 bytes long.
 Data: <  c +           > 18 9A 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022BDB6388C0, 16 bytes long.
 Data: <  c +           > F0 99 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022BDB636E90, 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 0x0000022BDB638D20, 16 bytes long.
 Data: < 6b +           > B8 36 62 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022BDB633200, 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 0x0000022BDB638A50, 16 bytes long.
 Data: < 6b +           > 90 36 62 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022BDB638FF0, 16 bytes long.
 Data: <h6b +           > 68 36 62 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022BDB638960, 16 bytes long.
 Data: <@6b +           > 40 36 62 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022BDB6396D0, 16 bytes long.
 Data: < 6b +           > 18 36 62 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022BDB6392C0, 16 bytes long.
 Data: < 5b +           > F0 35 62 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022BDB638870, 16 bytes long.
 Data: < 5b +           > C8 35 62 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022BDB632660, 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 0x0000022BDB639270, 16 bytes long.
 Data: < 5b +           > A0 35 62 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022BDB6235A0, 320 bytes long.
 Data: <p c +   `&c +   > 70 92 63 DB 2B 02 00 00 60 26 63 DB 2B 02 00 00 
{277} normal block at 0x0000022BDB638CD0, 16 bytes long.
 Data: <  c +           > D0 99 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022BDB638E60, 16 bytes long.
 Data: <  c +           > A8 99 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022BDB632C00, 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 0x0000022BDB639220, 16 bytes long.
 Data: <  c +           > 80 99 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022BDB6328A0, 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 0x0000022BDB639310, 16 bytes long.
 Data: <  c +           > C8 98 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022BDB6395E0, 16 bytes long.
 Data: <  c +           > A0 98 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022BDB6393B0, 16 bytes long.
 Data: <x c +           > 78 98 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022BDB638820, 16 bytes long.
 Data: <P c +           > 50 98 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022BDB638B90, 16 bytes long.
 Data: <( c +           > 28 98 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022BDB639720, 16 bytes long.
 Data: <  c +           > 00 98 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022BDB6391D0, 16 bytes long.
 Data: < oc +           > 00 6F 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022BDB636F00, 40 bytes long.
 Data: <  c +    Cb +   > D0 91 63 DB 2B 02 00 00 A0 43 62 DB 2B 02 00 00 
{263} normal block at 0x0000022BDB639540, 16 bytes long.
 Data: <  c +           > E0 97 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022BDB6394F0, 16 bytes long.
 Data: <  c +           > B8 97 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022BDB632420, 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 0x0000022BDB6394A0, 16 bytes long.
 Data: <  c +           > 90 97 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022BDB639790, 992 bytes long.
 Data: <  c +    $c +   > A0 94 63 DB 2B 02 00 00 20 24 63 DB 2B 02 00 00 
{95} normal block at 0x0000022BDB632600, 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 0x0000022BDB62D920, 16 bytes long.
 Data: <Ppc +           > 50 70 63 DB 2B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022BDB637050, 40 bytes long.
 Data: <  b +    &c +   > 20 D9 62 DB 2B 02 00 00 00 26 63 DB 2B 02 00 00 
{72} normal block at 0x0000022BDB62D420, 16 bytes long.
 Data: <                > 80 EA FF BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022BDB62D240, 16 bytes long.
 Data: <@               > 40 E9 FF BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022BDB62D380, 16 bytes long.
 Data: < W              > F8 57 FC BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022BDB62D650, 16 bytes long.
 Data: < W              > D8 57 FC BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022BDB62D790, 16 bytes long.
 Data: <P               > 50 04 FC BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022BDB62DDD0, 16 bytes long.
 Data: <0               > 30 04 FC BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022BDB62DEC0, 16 bytes long.
 Data: <                > E0 02 FC BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022BDB62D560, 16 bytes long.
 Data: <                > 10 04 FC BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022BDB62D470, 16 bytes long.
 Data: <p               > 70 04 FC BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022BDB62DD30, 16 bytes long.
 Data: <                > 18 C0 FA BF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra