Task 38584871

Name PFKFB3_A37_A11_r0_5-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND3834_0
Workunit 31548361
Created 18 Dec 2025, 4:39:37 UTC
Sent 18 Dec 2025, 4:39:41 UTC
Report deadline 23 Dec 2025, 4:39:41 UTC
Received 18 Dec 2025, 14:47:16 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 614701
Run time 3 hours 8 min 56 sec
CPU time 2 hours 49 min 19 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 36,218.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.40 MB
Peak swap size 7.13 GB
Peak disk usage 3.92 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:43:03 (45064): wrapper (7.9.26016): starting
20:43:03 (45064): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A11_0.pdb
QB_A37_A11_0.xml
QB_A37_A11_equil.pdb
QB_A37_A11.inpcrd
QB_A37_A11_input.yaml
QB_A37_A11_mdlambda.pdb
QB_A37_A11_min.pdb
QB_A37_A11_npt.pdb
QB_A37_A11.pdb
QB_A37_A11.prmtop
QB_A37_A11_sys.xml
QB_A37_A11_therm.pdb
run.bat
run.sh
20:43:07 (45064): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:43:07 (45064): 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\19\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\19\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.
23:51:23 (45064): C:/Windows/system32/cmd.exe exited; CPU time 10218.546875
23:51:23 (45064): app exit status: 0x40010004
23:51:23 (45064): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 282142169 bytes.
Dumping objects ->
{3835209} normal block at 0x0000019AA0189550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000019AA0189860, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000019AA0189E10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x0000019AA01898D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000019AA01897F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x0000019AA1D957E0, 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) : {3835121} normal block at 0x0000019AA015DB00, 8 bytes long.
 Data: <  R&#160;&#154;   > 00 00 52 A0 9A 01 00 00 
{3833965} normal block at 0x0000019AA015D970, 8 bytes long.
 Data: <p&#217; &#160;&#154;   > 70 D9 14 A0 9A 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000019AA0150FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019AA0151DC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000019AA0166260, 16 bytes long.
 Data: <&#184;n &#160;&#154;           > B8 6E 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019AA0166210, 16 bytes long.
 Data: < n &#160;&#154;           > 90 6E 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019AA015F950, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000019AA0166800, 16 bytes long.
 Data: <hn &#160;&#154;           > 68 6E 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019AA0165CC0, 16 bytes long.
 Data: <@n &#160;&#154;           > 40 6E 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019AA0165E00, 16 bytes long.
 Data: < n &#160;&#154;           > 18 6E 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019AA0166B20, 16 bytes long.
 Data: <&#240;m &#160;&#154;           > F0 6D 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019AA0161860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000019AA01661C0, 16 bytes long.
 Data: <&#168;	 &#160;&#154;           > A8 09 15 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019AA015FBF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000019AA0166490, 16 bytes long.
 Data: < 	 &#160;&#154;           > 80 09 15 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019AA0165C20, 16 bytes long.
 Data: <X	 &#160;&#154;           > 58 09 15 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019AA01668F0, 16 bytes long.
 Data: <0	 &#160;&#154;           > 30 09 15 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019AA01668A0, 16 bytes long.
 Data: < 	 &#160;&#154;           > 08 09 15 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019AA01669E0, 16 bytes long.
 Data: <&#224;  &#160;&#154;           > E0 08 15 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019AA01660D0, 16 bytes long.
 Data: <&#184;  &#160;&#154;           > B8 08 15 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019AA0160130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000019AA0166850, 16 bytes long.
 Data: <   &#160;&#154;           > 90 08 15 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019AA0150890, 320 bytes long.
 Data: <Ph &#160;&#154;   0  &#160;&#154;   > 50 68 16 A0 9A 01 00 00 30 01 16 A0 9A 01 00 00 
{278} normal block at 0x0000019AA0166440, 16 bytes long.
 Data: <&#208;m &#160;&#154;           > D0 6D 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019AA01663F0, 16 bytes long.
 Data: <&#168;m &#160;&#154;           > A8 6D 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019AA01604F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000019AA0165F40, 16 bytes long.
 Data: < m &#160;&#154;           > 80 6D 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019AA015FB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000019AA0166990, 16 bytes long.
 Data: <&#200;l &#160;&#154;           > C8 6C 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019AA0165EF0, 16 bytes long.
 Data: <&#160;l &#160;&#154;           > A0 6C 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019AA01663A0, 16 bytes long.
 Data: <xl &#160;&#154;           > 78 6C 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019AA0166080, 16 bytes long.
 Data: <Pl &#160;&#154;           > 50 6C 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019AA0166350, 16 bytes long.
 Data: <(l &#160;&#154;           > 28 6C 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019AA0165BD0, 16 bytes long.
 Data: < l &#160;&#154;           > 00 6C 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019AA0166A30, 16 bytes long.
 Data: <&#240;  &#160;&#154;           > F0 17 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019AA01617F0, 40 bytes long.
 Data: <0j &#160;&#154;   &#224;W&#217;&#161;&#154;   > 30 6A 16 A0 9A 01 00 00 E0 57 D9 A1 9A 01 00 00 
{264} normal block at 0x0000019AA0166170, 16 bytes long.
 Data: <&#224;k &#160;&#154;           > E0 6B 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019AA0165F90, 16 bytes long.
 Data: <&#184;k &#160;&#154;           > B8 6B 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019AA015FEF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000019AA0165EA0, 16 bytes long.
 Data: < k &#160;&#154;           > 90 6B 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019AA0166B90, 992 bytes long.
 Data: <&#160;^ &#160;&#154;   &#240;&#254; &#160;&#154;   > A0 5E 16 A0 9A 01 00 00 F0 FE 15 A0 9A 01 00 00 
{96} normal block at 0x0000019AA0160610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000019AA015DF60, 16 bytes long.
 Data: <&#160;  &#160;&#154;           > A0 16 16 A0 9A 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000019AA01616A0, 40 bytes long.
 Data: <`&#223; &#160;&#154;      &#160;&#154;   > 60 DF 15 A0 9A 01 00 00 10 06 16 A0 9A 01 00 00 
{73} normal block at 0x0000019AA015D7E0, 16 bytes long.
 Data: < &#234;%N&#246;           > 80 EA 25 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000019AA015DA60, 16 bytes long.
 Data: <@&#233;%N&#246;           > 40 E9 25 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019AA015E0F0, 16 bytes long.
 Data: <&#248;W"N&#246;           > F8 57 22 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019AA015DFB0, 16 bytes long.
 Data: <&#216;W"N&#246;           > D8 57 22 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019AA015DA10, 16 bytes long.
 Data: <P "N&#246;           > 50 04 22 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019AA015E0A0, 16 bytes long.
 Data: <0 "N&#246;           > 30 04 22 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019AA015D830, 16 bytes long.
 Data: <&#224; "N&#246;           > E0 02 22 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019AA015E280, 16 bytes long.
 Data: <  "N&#246;           > 10 04 22 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019AA015DF10, 16 bytes long.
 Data: <p "N&#246;           > 70 04 22 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019AA015D470, 16 bytes long.
 Data: < &#192; N&#246;           > 18 C0 20 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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