Task 38643356

Name shp2_A25_A16_r0_3-QUICO_ATM_GAFF2_NAGL_shp2-3-6-RND9593_0
Workunit 31589786
Created 7 May 2026, 12:49:51 UTC
Sent 7 May 2026, 12:49:57 UTC
Report deadline 12 May 2026, 12:49:57 UTC
Received 8 May 2026, 5:47:39 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 649295
Run time 16 hours 19 min 46 sec
CPU time 16 hours 19 min 46 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 2,883.29 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 884.63 MB
Peak swap size 5.47 GB
Peak disk usage 3.23 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:02:24 (31292): wrapper (7.9.26016): starting
09:02:24 (31292): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A16_0.pdb
QB_A25_A16_0.xml
QB_A25_A16.inpcrd
QB_A25_A16_input.yaml
QB_A25_A16.pdb
QB_A25_A16.prmtop
QB_A25_A16_sys.xml
run.bat
run.sh
09:02:44 (31292): Library/usr/bin/tar.exe exited; CPU time 0.187500
09:02:44 (31292): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
The system cannot find the path specified.
The system cannot find the path specified.
  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
01:45:43 (31292): C:/Windows/system32/cmd.exe exited; CPU time 58786.703125
01:45:43 (31292): app exit status: 0x1
01:45:43 (31292): called boinc_finish(195)
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: 1251500205 bytes.
Dumping objects ->
{3835253} normal block at 0x000002647EE40FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000002647EE40AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002647EE41410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000002647EE40A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002647EE41640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002647EF35540, 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) : {3835165} normal block at 0x000002647D28B340, 8 bytes long.
 Data: <  &#206;~d   > 00 00 CE 7E 64 02 00 00 
{3833971} normal block at 0x000002647D28B8E0, 8 bytes long.
 Data: <P .}d   > 50 08 2E 7D 64 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002647D292920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002647D286C10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002647D296B20, 16 bytes long.
 Data: <&#248;t)}d           > F8 74 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002647D296260, 16 bytes long.
 Data: <&#208;t)}d           > D0 74 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002647D28F500, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002647D2970C0, 16 bytes long.
 Data: <&#168;t)}d           > A8 74 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002647D296D50, 16 bytes long.
 Data: < t)}d           > 80 74 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002647D296440, 16 bytes long.
 Data: <Xt)}d           > 58 74 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002647D296670, 16 bytes long.
 Data: <0t)}d           > 30 74 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002647D291330, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002647D296760, 16 bytes long.
 Data: <&#216; (}d           > D8 99 28 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002647D28F800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002647D2962B0, 16 bytes long.
 Data: <&#176; (}d           > B0 99 28 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002647D296FD0, 16 bytes long.
 Data: <  (}d           > 88 99 28 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002647D296C60, 16 bytes long.
 Data: <` (}d           > 60 99 28 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002647D296AD0, 16 bytes long.
 Data: <8 (}d           > 38 99 28 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002647D2963A0, 16 bytes long.
 Data: <  (}d           > 10 99 28 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002647D296530, 16 bytes long.
 Data: <&#232; (}d           > E8 98 28 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002647D28EC00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002647D296710, 16 bytes long.
 Data: <&#192; (}d           > C0 98 28 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002647D2898C0, 320 bytes long.
 Data: < g)}d    &#236;(}d   > 10 67 29 7D 64 02 00 00 00 EC 28 7D 64 02 00 00 
{281} normal block at 0x000002647D296F80, 16 bytes long.
 Data: < t)}d           > 10 74 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002647D296A80, 16 bytes long.
 Data: <&#232;s)}d           > E8 73 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002647D28ED20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002647D296620, 16 bytes long.
 Data: <&#192;s)}d           > C0 73 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002647D28F320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002647D296350, 16 bytes long.
 Data: < s)}d           > 08 73 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002647D296A30, 16 bytes long.
 Data: <&#224;r)}d           > E0 72 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002647D296F30, 16 bytes long.
 Data: <&#184;r)}d           > B8 72 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002647D296EE0, 16 bytes long.
 Data: < r)}d           > 90 72 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002647D2968A0, 16 bytes long.
 Data: <hr)}d           > 68 72 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002647D296B70, 16 bytes long.
 Data: <@r)}d           > 40 72 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002647D2963F0, 16 bytes long.
 Data: <&#192; )}d           > C0 12 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002647D2912C0, 40 bytes long.
 Data: <&#240;c)}d   @U&#243;~d   > F0 63 29 7D 64 02 00 00 40 55 F3 7E 64 02 00 00 
{267} normal block at 0x000002647D296580, 16 bytes long.
 Data: < r)}d           > 20 72 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002647D296210, 16 bytes long.
 Data: <&#248;q)}d           > F8 71 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002647D28F8C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002647D296C10, 16 bytes long.
 Data: <&#208;q)}d           > D0 71 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002647D2971D0, 992 bytes long.
 Data: < l)}d   &#192;&#248;(}d   > 10 6C 29 7D 64 02 00 00 C0 F8 28 7D 64 02 00 00 
{99} normal block at 0x000002647D28F4A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002647D28B840, 16 bytes long.
 Data: <  )}d           > 10 0D 29 7D 64 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002647D290D10, 40 bytes long.
 Data: <@&#184;(}d   &#160;&#244;(}d   > 40 B8 28 7D 64 02 00 00 A0 F4 28 7D 64 02 00 00 
{76} normal block at 0x000002647D28B7A0, 16 bytes long.
 Data: < &#234;&#243;&#238;&#246;           > 80 EA F3 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002647D28B020, 16 bytes long.
 Data: <@&#233;&#243;&#238;&#246;           > 40 E9 F3 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002647D28AC60, 16 bytes long.
 Data: <&#248;W&#240;&#238;&#246;           > F8 57 F0 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002647D28B200, 16 bytes long.
 Data: <&#216;W&#240;&#238;&#246;           > D8 57 F0 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002647D28B2F0, 16 bytes long.
 Data: <P &#240;&#238;&#246;           > 50 04 F0 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002647D28B930, 16 bytes long.
 Data: <0 &#240;&#238;&#246;           > 30 04 F0 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002647D28B6B0, 16 bytes long.
 Data: <&#224; &#240;&#238;&#246;           > E0 02 F0 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002647D28B110, 16 bytes long.
 Data: <  &#240;&#238;&#246;           > 10 04 F0 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002647D28B890, 16 bytes long.
 Data: <p &#240;&#238;&#246;           > 70 04 F0 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002647D28B480, 16 bytes long.
 Data: < &#192;&#238;&#238;&#246;           > 18 C0 EE EE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra