Task 38621056

Name CDK2_A02_A15_r0_2-QUICO_ATM_GAFF2_NAGL_CDK2-1-6-RND9166_1
Workunit 31561753
Created 19 Apr 2026, 16:08:41 UTC
Sent 19 Apr 2026, 16:08:45 UTC
Report deadline 24 Apr 2026, 16:08:45 UTC
Received 20 Apr 2026, 4:41:03 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 615648
Run time 2 hours 17 min
CPU time 2 hours 14 min 48 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,153.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 804.94 MB
Peak swap size 13.05 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:09:21 (24788): wrapper (7.9.26016): starting
18:09:21 (24788): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A15_0.pdb
QB_A02_A15_0.xml
QB_A02_A15.inpcrd
QB_A02_A15_input.yaml
QB_A02_A15.pdb
QB_A02_A15.prmtop
QB_A02_A15_sys.xml
run.bat
run.sh
18:09:22 (24788): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:09:22 (24788): 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.
21:06:41 (24788): C:/Windows/system32/cmd.exe exited; CPU time 10519.703125
21:06:41 (24788): app exit status: 0x16
21:06:41 (24788): 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: 193244355 bytes.
Dumping objects ->
{3835275} normal block at 0x0000023F511F3A10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x0000023F511F3770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000023F4F3D4EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x0000023F4F3D4E40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000023F4F3D4DD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x0000023F5116AA00, 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) : {3835187} normal block at 0x0000023F4F3CE010, 8 bytes long.
 Data: <  &#244;P?   > 00 00 F4 50 3F 02 00 00 
{3833959} normal block at 0x0000023F4F3CDD90, 8 bytes long.
 Data: <&#240;&#216;;O?   > F0 D8 3B 4F 3F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023F4F3C10C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023F4F3C2540, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000023F4F3D6110, 16 bytes long.
 Data: < j=O?           > 98 6A 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023F4F3D58A0, 16 bytes long.
 Data: <pj=O?           > 70 6A 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023F4F3CFEF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000023F4F3D6200, 16 bytes long.
 Data: <Hj=O?           > 48 6A 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023F4F3D6480, 16 bytes long.
 Data: < j=O?           > 20 6A 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023F4F3D5850, 16 bytes long.
 Data: <&#248;i=O?           > F8 69 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023F4F3D5CB0, 16 bytes long.
 Data: <&#208;i=O?           > D0 69 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023F4F3D4CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000023F4F3D5E40, 16 bytes long.
 Data: <  <O?           > 18 00 3C 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023F4F3D03D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000023F4F3D6070, 16 bytes long.
 Data: <&#240;&#255;;O?           > F0 FF 3B 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023F4F3D5E90, 16 bytes long.
 Data: <&#200;&#255;;O?           > C8 FF 3B 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023F4F3D5AD0, 16 bytes long.
 Data: <&#160;&#255;;O?           > A0 FF 3B 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023F4F3D6430, 16 bytes long.
 Data: <x&#255;;O?           > 78 FF 3B 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023F4F3D6700, 16 bytes long.
 Data: <P&#255;;O?           > 50 FF 3B 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023F4F3D5BC0, 16 bytes long.
 Data: <(&#255;;O?           > 28 FF 3B 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023F4F3CFBF0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{277} normal block at 0x0000023F4F3D63E0, 16 bytes long.
 Data: < &#255;;O?           > 00 FF 3B 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023F4F3BFF00, 320 bytes long.
 Data: <&#224;c=O?   &#240;&#251;<O?   > E0 63 3D 4F 3F 02 00 00 F0 FB 3C 4F 3F 02 00 00 
{275} normal block at 0x0000023F4F3D5800, 16 bytes long.
 Data: <&#176;i=O?           > B0 69 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023F4F3D6340, 16 bytes long.
 Data: < i=O?           > 88 69 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023F4F3D0250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000023F4F3D6610, 16 bytes long.
 Data: <`i=O?           > 60 69 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023F4F3CF590, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000023F4F3D5A80, 16 bytes long.
 Data: <&#168;h=O?           > A8 68 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023F4F3D6020, 16 bytes long.
 Data: < h=O?           > 80 68 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023F4F3D59E0, 16 bytes long.
 Data: <Xh=O?           > 58 68 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023F4F3D65C0, 16 bytes long.
 Data: <0h=O?           > 30 68 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023F4F3D5A30, 16 bytes long.
 Data: < h=O?           > 08 68 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023F4F3D5F80, 16 bytes long.
 Data: <&#224;g=O?           > E0 67 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023F4F3D64D0, 16 bytes long.
 Data: < O=O?           > 20 4F 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023F4F3D4F20, 40 bytes long.
 Data: <&#208;d=O?    &#170; Q?   > D0 64 3D 4F 3F 02 00 00 00 AA 16 51 3F 02 00 00 
{261} normal block at 0x0000023F4F3D66B0, 16 bytes long.
 Data: <&#192;g=O?           > C0 67 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023F4F3D5C60, 16 bytes long.
 Data: < g=O?           > 98 67 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023F4F3CFE30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000023F4F3D5D50, 16 bytes long.
 Data: <pg=O?           > 70 67 3D 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023F4F3D6770, 992 bytes long.
 Data: <P]=O?   0&#254;<O?   > 50 5D 3D 4F 3F 02 00 00 30 FE 3C 4F 3F 02 00 00 
{93} normal block at 0x0000023F4F3CF650, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000023F4F3CD930, 16 bytes long.
 Data: <P&#212;;O?           > 50 D4 3B 4F 3F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000023F4F3BD450, 40 bytes long.
 Data: <0&#217;<O?   P&#246;<O?   > 30 D9 3C 4F 3F 02 00 00 50 F6 3C 4F 3F 02 00 00 
{70} normal block at 0x0000023F4F3CD8E0, 16 bytes long.
 Data: < &#234;&#147;&#235;&#247;           > 80 EA 93 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023F4F3CD700, 16 bytes long.
 Data: <@&#233;&#147;&#235;&#247;           > 40 E9 93 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023F4F3CD5C0, 16 bytes long.
 Data: <&#248;W &#235;&#247;           > F8 57 90 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023F4F3CD480, 16 bytes long.
 Data: <&#216;W &#235;&#247;           > D8 57 90 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023F4F3CE060, 16 bytes long.
 Data: <P  &#235;&#247;           > 50 04 90 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023F4F3CE1F0, 16 bytes long.
 Data: <0  &#235;&#247;           > 30 04 90 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023F4F3CDE30, 16 bytes long.
 Data: <&#224;  &#235;&#247;           > E0 02 90 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023F4F3CD570, 16 bytes long.
 Data: <   &#235;&#247;           > 10 04 90 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023F4F3CDF20, 16 bytes long.
 Data: <p  &#235;&#247;           > 70 04 90 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023F4F3CD6B0, 16 bytes long.
 Data: < &#192;&#142;&#235;&#247;           > 18 C0 8E EB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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