Task 38627877

Name p38_2_A14_A01_r0_5-QUICO_ATM_GAFF2_NAGL_p38_2-3-6-RND5981_0
Workunit 31577648
Created 24 Apr 2026, 13:56:44 UTC
Sent 24 Apr 2026, 13:57:15 UTC
Report deadline 29 Apr 2026, 13:57:15 UTC
Received 24 Apr 2026, 16:46:14 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 631208
Run time 2 hours 47 min 10 sec
CPU time 2 hours 46 min 51 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,470.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 618.83 MB
Peak swap size 8.20 GB
Peak disk usage 3.04 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
K�ytt�j�rjestelm� ei voi suorittaa ohjelmaa ���.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:59:37 (10096): wrapper (7.9.26016): starting
16:59:37 (10096): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A01_0.pdb
QB_A14_A01_0.xml
QB_A14_A01.inpcrd
QB_A14_A01_input.yaml
QB_A14_A01.pdb
QB_A14_A01.prmtop
QB_A14_A01_sys.xml
run.bat
run.sh
16:59:38 (10096): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:59:38 (10096): 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 'K:\BOINC-Data\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 'K:\BOINC-Data\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.
19:45:33 (10096): C:/Windows/system32/cmd.exe exited; CPU time 10011.453125
19:45:33 (10096): app exit status: 0x16
19:45:33 (10096): called boinc_finish(195)
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: 224820651 bytes.
Dumping objects ->
{3835306} normal block at 0x000001A09222FA60, 48 bytes long.
 Data: <PATH=K:\BOINC-Da> 50 41 54 48 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61 
{3835295} normal block at 0x000001A094054E30, 32 bytes long.
 Data: <HOME=K:\BOINC-Da> 48 4F 4D 45 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61 
{3835284} normal block at 0x000001A094055910, 32 bytes long.
 Data: <TMP=K:\BOINC-Dat> 54 4D 50 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61 74 
{3835273} normal block at 0x000001A0940557F0, 32 bytes long.
 Data: <TEMP=K:\BOINC-Da> 54 45 4D 50 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61 
{3835262} normal block at 0x000001A094056210, 32 bytes long.
 Data: <TMPDIR=K:\BOINC-> 54 4D 50 44 49 52 3D 4B 3A 5C 42 4F 49 4E 43 2D 
{3835231} normal block at 0x000001A09222FFA0, 48 bytes long.
 Data: <PATH=K:\BOINC-Da> 50 41 54 48 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61 
{3835220} normal block at 0x000001A09405F0F0, 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) : {3835217} normal block at 0x000001A09220C4E0, 8 bytes long.
 Data: <  s&#146;&#160;   > 00 00 73 92 A0 01 00 00 
{3834599} normal block at 0x000001A09405F880, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833995} normal block at 0x000001A09220BE50, 8 bytes long.
 Data: <&#176;&#168; &#148;&#160;   > B0 A8 06 94 A0 01 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x000001A0921F6CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x000001A0921F6190, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x000001A09220C440, 16 bytes long.
 Data: <x&#210; &#146;&#160;           > 78 D2 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x000001A09220CB70, 16 bytes long.
 Data: <P&#210; &#146;&#160;           > 50 D2 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001A092205AD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x000001A09220CB20, 16 bytes long.
 Data: <(&#210; &#146;&#160;           > 28 D2 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001A09220CA30, 16 bytes long.
 Data: < &#210; &#146;&#160;           > 00 D2 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001A09220C710, 16 bytes long.
 Data: <&#216;&#209; &#146;&#160;           > D8 D1 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001A09220C350, 16 bytes long.
 Data: <&#176;&#209; &#146;&#160;           > B0 D1 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001A092206C00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x000001A09220BD60, 16 bytes long.
 Data: <&#248;&#134; &#146;&#160;           > F8 86 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001A092206790, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x000001A09220C300, 16 bytes long.
 Data: <&#208;&#134; &#146;&#160;           > D0 86 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001A09220C850, 16 bytes long.
 Data: <&#168;&#134; &#146;&#160;           > A8 86 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A09220C670, 16 bytes long.
 Data: < &#134; &#146;&#160;           > 80 86 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A09220BEA0, 16 bytes long.
 Data: <X&#134; &#146;&#160;           > 58 86 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A09220C580, 16 bytes long.
 Data: <0&#134; &#146;&#160;           > 30 86 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A09220CAD0, 16 bytes long.
 Data: < &#134; &#146;&#160;           > 08 86 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A092206070, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x000001A09220CCB0, 16 bytes long.
 Data: <&#224;&#133; &#146;&#160;           > E0 85 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A0922085E0, 320 bytes long.
 Data: <&#176;&#204; &#146;&#160;   p` &#146;&#160;   > B0 CC 20 92 A0 01 00 00 70 60 20 92 A0 01 00 00 
{293} normal block at 0x000001A09220CC10, 16 bytes long.
 Data: < &#209; &#146;&#160;           > 90 D1 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A09220C940, 16 bytes long.
 Data: <h&#209; &#146;&#160;           > 68 D1 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A092206250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x000001A09220C620, 16 bytes long.
 Data: <@&#209; &#146;&#160;           > 40 D1 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A0922064F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x000001A09220C260, 16 bytes long.
 Data: < &#208; &#146;&#160;           > 88 D0 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A09220C800, 16 bytes long.
 Data: <`&#208; &#146;&#160;           > 60 D0 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A09220C080, 16 bytes long.
 Data: <8&#208; &#146;&#160;           > 38 D0 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A09220C3A0, 16 bytes long.
 Data: < &#208; &#146;&#160;           > 10 D0 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A09220CA80, 16 bytes long.
 Data: <&#232;&#207; &#146;&#160;           > E8 CF 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A09220CC60, 16 bytes long.
 Data: <&#192;&#207; &#146;&#160;           > C0 CF 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A09220C3F0, 16 bytes long.
 Data: <`p &#146;&#160;           > 60 70 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A092207060, 40 bytes long.
 Data: <&#240;&#195; &#146;&#160;   &#160;&#255;"&#146;&#160;   > F0 C3 20 92 A0 01 00 00 A0 FF 22 92 A0 01 00 00 
{279} normal block at 0x000001A09220C990, 16 bytes long.
 Data: <&#160;&#207; &#146;&#160;           > A0 CF 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A09220C8F0, 16 bytes long.
 Data: <x&#207; &#146;&#160;           > 78 CF 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A092205DD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x000001A09220C6C0, 16 bytes long.
 Data: <P&#207; &#146;&#160;           > 50 CF 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A09220CF50, 992 bytes long.
 Data: <&#192;&#198; &#146;&#160;   &#208;] &#146;&#160;   > C0 C6 20 92 A0 01 00 00 D0 5D 20 92 A0 01 00 00 
{111} normal block at 0x000001A092205BF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x000001A0921FAD10, 16 bytes long.
 Data: <&#176;j &#146;&#160;           > B0 6A 20 92 A0 01 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x000001A092206AB0, 40 bytes long.
 Data: < &#173; &#146;&#160;   &#240;[ &#146;&#160;   > 10 AD 1F 92 A0 01 00 00 F0 5B 20 92 A0 01 00 00 
{88} normal block at 0x000001A0921FB620, 16 bytes long.
 Data: < &#234;&#169;[&#247;           > 80 EA A9 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001A0921FAC20, 16 bytes long.
 Data: <@&#233;&#169;[&#247;           > 40 E9 A9 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001A0921FB670, 16 bytes long.
 Data: <&#248;W&#166;[&#247;           > F8 57 A6 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001A0921FB170, 16 bytes long.
 Data: <&#216;W&#166;[&#247;           > D8 57 A6 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001A0921FABD0, 16 bytes long.
 Data: <P &#166;[&#247;           > 50 04 A6 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001A0921FB300, 16 bytes long.
 Data: <0 &#166;[&#247;           > 30 04 A6 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001A0921FB350, 16 bytes long.
 Data: <&#224; &#166;[&#247;           > E0 02 A6 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001A0921FB5D0, 16 bytes long.
 Data: <  &#166;[&#247;           > 10 04 A6 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001A0921FAFE0, 16 bytes long.
 Data: <p &#166;[&#247;           > 70 04 A6 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001A0921FB120, 16 bytes long.
 Data: < &#192;&#164;[&#247;           > 18 C0 A4 5B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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