Task 38608002

Name p38_A05_A13_r0_5-QUICO_ATM_OpenFF_p38-0-6-RND6735_0
Workunit 31561422
Created 14 Apr 2026, 15:03:41 UTC
Sent 14 Apr 2026, 15:05:43 UTC
Report deadline 19 Apr 2026, 15:05:43 UTC
Received 14 Apr 2026, 20:41:21 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 640971
Run time
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 5,119.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:16:37 (3020): wrapper (7.9.26016): starting
16:16:37 (3020): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A13_0.pdb
QB_A05_A13_0.xml
QB_A05_A13.inpcrd
QB_A05_A13_input.yaml
QB_A05_A13.pdb
QB_A05_A13.prmtop
QB_A05_A13_sys.xml
run.bat
run.sh
16:16:38 (3020): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:16:38 (3020): 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\1\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\1\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.
19:10:21 (3020): C:/Windows/system32/cmd.exe exited; CPU time 9799.468750
19:10:21 (3020): app exit status: 0x16
19:10:21 (3020): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 173712955 bytes.
Dumping objects ->
{3835220} normal block at 0x000001D9588138A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001D958812FE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001D958813BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x000001D958813280, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000001D958813B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x000001D9587E9D00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835134} normal block at 0x000001D95A40E7F0, 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) : {3835131} normal block at 0x000001D9587BD930, 8 bytes long.
 Data: <  yX&#217;   > 00 00 79 58 D9 01 00 00 
{3834535} normal block at 0x000001D95A40E5E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001D9587BD070, 8 bytes long.
 Data: <&#160;&#214;zX&#217;   > A0 D6 7A 58 D9 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D9587B0E50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D9587B19D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001D9587C61C0, 16 bytes long.
 Data: <&#248;e|X&#217;           > F8 65 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D9587C5DB0, 16 bytes long.
 Data: <&#208;e|X&#217;           > D0 65 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D9587C10B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001D9587C5590, 16 bytes long.
 Data: <&#168;e|X&#217;           > A8 65 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D9587C5950, 16 bytes long.
 Data: < e|X&#217;           > 80 65 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D9587C5D10, 16 bytes long.
 Data: <Xe|X&#217;           > 58 65 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D9587C5540, 16 bytes long.
 Data: <0e|X&#217;           > 30 65 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D9587BF5F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001D9587C6080, 16 bytes long.
 Data: <&#216; {X&#217;           > D8 06 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D9587C07B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001D9587C5C70, 16 bytes long.
 Data: <&#176; {X&#217;           > B0 06 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D9587C6120, 16 bytes long.
 Data: <  {X&#217;           > 88 06 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D9587C5C20, 16 bytes long.
 Data: <` {X&#217;           > 60 06 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D9587C53B0, 16 bytes long.
 Data: <8 {X&#217;           > 38 06 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D9587C5EF0, 16 bytes long.
 Data: <  {X&#217;           > 10 06 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D9587C57C0, 16 bytes long.
 Data: <&#232; {X&#217;           > E8 05 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D9587C1050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001D9587C5860, 16 bytes long.
 Data: <&#192; {X&#217;           > C0 05 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D9587B05C0, 320 bytes long.
 Data: <`X|X&#217;   P |X&#217;   > 60 58 7C 58 D9 01 00 00 50 10 7C 58 D9 01 00 00 
{274} normal block at 0x000001D9587C5720, 16 bytes long.
 Data: < e|X&#217;           > 10 65 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D9587C5F40, 16 bytes long.
 Data: <&#232;d|X&#217;           > E8 64 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D9587C14D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001D9587C5400, 16 bytes long.
 Data: <&#192;d|X&#217;           > C0 64 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D9587C0B70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001D9587C5CC0, 16 bytes long.
 Data: < d|X&#217;           > 08 64 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D9587C5810, 16 bytes long.
 Data: <&#224;c|X&#217;           > E0 63 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D9587C5770, 16 bytes long.
 Data: <&#184;c|X&#217;           > B8 63 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D9587C5D60, 16 bytes long.
 Data: < c|X&#217;           > 90 63 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D9587C5B80, 16 bytes long.
 Data: <hc|X&#217;           > 68 63 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D9587C5450, 16 bytes long.
 Data: <@c|X&#217;           > 40 63 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D9587C5AE0, 16 bytes long.
 Data: <&#160;&#244;{X&#217;           > A0 F4 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D9587BF4A0, 40 bytes long.
 Data: <&#224;Z|X&#217;     ~X&#217;   > E0 5A 7C 58 D9 01 00 00 00 9D 7E 58 D9 01 00 00 
{260} normal block at 0x000001D9587C59F0, 16 bytes long.
 Data: < c|X&#217;           > 20 63 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D9587C5E50, 16 bytes long.
 Data: <&#248;b|X&#217;           > F8 62 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D9587C08D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001D9587C58B0, 16 bytes long.
 Data: <&#208;b|X&#217;           > D0 62 7C 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D9587C62D0, 992 bytes long.
 Data: <&#176;X|X&#217;   &#208; |X&#217;   > B0 58 7C 58 D9 01 00 00 D0 08 7C 58 D9 01 00 00 
{92} normal block at 0x000001D9587C1650, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001D9587BD480, 16 bytes long.
 Data: < &#245;{X&#217;           > 10 F5 7B 58 D9 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D9587BF510, 40 bytes long.
 Data: < &#212;{X&#217;   P |X&#217;   > 80 D4 7B 58 D9 01 00 00 50 16 7C 58 D9 01 00 00 
{69} normal block at 0x000001D9587BD610, 16 bytes long.
 Data: < &#234;?4&#247;           > 80 EA 3F 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D9587BDCF0, 16 bytes long.
 Data: <@&#233;?4&#247;           > 40 E9 3F 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D9587BDD90, 16 bytes long.
 Data: <&#248;W<4&#247;           > F8 57 3C 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D9587BD250, 16 bytes long.
 Data: <&#216;W<4&#247;           > D8 57 3C 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D9587BDCA0, 16 bytes long.
 Data: <P <4&#247;           > 50 04 3C 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D9587BDC50, 16 bytes long.
 Data: <0 <4&#247;           > 30 04 3C 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D9587BDC00, 16 bytes long.
 Data: <&#224; <4&#247;           > E0 02 3C 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D9587BD390, 16 bytes long.
 Data: <  <4&#247;           > 10 04 3C 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D9587BDBB0, 16 bytes long.
 Data: <p <4&#247;           > 70 04 3C 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D9587BDB60, 16 bytes long.
 Data: < &#192;:4&#247;           > 18 C0 3A 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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