Task 38579869

Name JNK1_A20_A01_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9375_2
Workunit 31545035
Created 11 Dec 2025, 13:24:57 UTC
Sent 11 Dec 2025, 13:24:57 UTC
Report deadline 16 Dec 2025, 13:24:57 UTC
Received 11 Dec 2025, 13:48:10 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 612458
Run time 1 min 13 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 5,032.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 57.68 MB
Peak swap size 42.17 MB
Peak disk usage 1.44 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
 - exit code 195 (0xc3)</message>
<stderr_txt>
21:46:39 (38920): wrapper (7.9.26016): starting
21:46:39 (38920): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A01_0.pdb
QB_A20_A01_0.xml
QB_A20_A01_equil.pdb
QB_A20_A01.inpcrd
QB_A20_A01_input.yaml
QB_A20_A01_mdlambda.pdb
QB_A20_A01_min.pdb
QB_A20_A01_npt.pdb
QB_A20_A01_out_merged_nowater.pdb
QB_A20_A01.pdb
QB_A20_A01.prmtop
QB_A20_A01_sys.xml
QB_A20_A01_therm.pdb
run.bat
run.sh
21:46:40 (38920): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:46:40 (38920): 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.
  Running command git version
  git version 2.47.0.windows.1
  Running command git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\0\pip-req-build-9z9fdzk4'
  Cloning into 'C:\ProgramData\BOINC\slots\0\pip-req-build-9z9fdzk4'...
  fatal: unable to access 'https://github.com/Acellera/atm.git/': Could not resolve host: github.com
  error: subprocess-exited-with-error
  
  git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\0\pip-req-build-9z9fdzk4' did not run successfully.
  exit code: 128
  
  See above for output.
  
  note: This error originates from a subprocess, and is likely not a problem with pip.
  full command: git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\0\pip-req-build-9z9fdzk4'
  cwd: [inherit]
error: subprocess-exited-with-error

git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\0\pip-req-build-9z9fdzk4' did not run successfully.
exit code: 128

See above for output.

note: This error originates from a subprocess, and is likely not a problem with pip.
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
21:47:01 (38920): C:/Windows/system32/cmd.exe exited; CPU time 1.187500
21:47:01 (38920): app exit status: 0x16
21:47:01 (38920): 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: 429439 bytes.
Dumping objects ->
{3835494} normal block at 0x00000281B6C8A2C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x00000281B51B3370, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000281B51B31B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835461} normal block at 0x00000281B51B30D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x00000281B51B3610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835419} normal block at 0x00000281B6CD41E0, 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) : {3835406} normal block at 0x00000281B51ADD50, 8 bytes long.
 Data: <  &#171;&#182;    > 00 00 AB B6 81 02 00 00 
{3833951} normal block at 0x00000281B51AE610, 8 bytes long.
 Data: <&#176; &#211;&#182;    > B0 15 D3 B6 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000281B51A6290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000281B519F5E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000281B51B48F0, 16 bytes long.
 Data: <xM &#181;            > 78 4D 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000281B51B48A0, 16 bytes long.
 Data: <PM &#181;            > 50 4D 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000281B51AEC40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000281B51B3C20, 16 bytes long.
 Data: <(M &#181;            > 28 4D 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000281B51B3D60, 16 bytes long.
 Data: < M &#181;            > 00 4D 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000281B51B44E0, 16 bytes long.
 Data: <&#216;L &#181;            > D8 4C 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000281B51B4800, 16 bytes long.
 Data: <&#176;L &#181;            > B0 4C 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000281B51B3450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000281B51B47B0, 16 bytes long.
 Data: < &#179; &#181;            > 08 B3 19 B5 81 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000281B51AF5A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000281B51B3B80, 16 bytes long.
 Data: <&#224;&#178; &#181;            > E0 B2 19 B5 81 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000281B51B4490, 16 bytes long.
 Data: <&#184;&#178; &#181;            > B8 B2 19 B5 81 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000281B51B4850, 16 bytes long.
 Data: < &#178; &#181;            > 90 B2 19 B5 81 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000281B51B40D0, 16 bytes long.
 Data: <h&#178; &#181;            > 68 B2 19 B5 81 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000281B51B43A0, 16 bytes long.
 Data: <@&#178; &#181;            > 40 B2 19 B5 81 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000281B51B3E00, 16 bytes long.
 Data: < &#178; &#181;            > 18 B2 19 B5 81 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000281B51AF240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000281B51B3BD0, 16 bytes long.
 Data: <&#240;&#177; &#181;            > F0 B1 19 B5 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000281B519B1F0, 320 bytes long.
 Data: <&#208;; &#181;    @&#242; &#181;    > D0 3B 1B B5 81 02 00 00 40 F2 1A B5 81 02 00 00 
{271} normal block at 0x00000281B51B3D10, 16 bytes long.
 Data: < L &#181;            > 90 4C 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000281B51B3F40, 16 bytes long.
 Data: <hL &#181;            > 68 4C 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000281B51AF780, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000281B51B4760, 16 bytes long.
 Data: <@L &#181;            > 40 4C 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000281B51AF2A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000281B51B3EA0, 16 bytes long.
 Data: < K &#181;            > 88 4B 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000281B51B46C0, 16 bytes long.
 Data: <`K &#181;            > 60 4B 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000281B51B4530, 16 bytes long.
 Data: <8K &#181;            > 38 4B 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000281B51B4620, 16 bytes long.
 Data: < K &#181;            > 10 4B 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000281B51B4710, 16 bytes long.
 Data: <&#232;J &#181;            > E8 4A 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000281B51B4080, 16 bytes long.
 Data: <&#192;J &#181;            > C0 4A 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000281B51B45D0, 16 bytes long.
 Data: <05 &#181;            > 30 35 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000281B51B3530, 40 bytes long.
 Data: <&#208;E &#181;    &#224;A&#205;&#182;    > D0 45 1B B5 81 02 00 00 E0 41 CD B6 81 02 00 00 
{257} normal block at 0x00000281B51B3AE0, 16 bytes long.
 Data: <&#160;J &#181;            > A0 4A 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000281B51B4440, 16 bytes long.
 Data: <xJ &#181;            > 78 4A 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000281B51AEB80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000281B51B4670, 16 bytes long.
 Data: <PJ &#181;            > 50 4A 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000281B51B4A50, 992 bytes long.
 Data: <pF &#181;     &#235; &#181;    > 70 46 1B B5 81 02 00 00 80 EB 1A B5 81 02 00 00 
{89} normal block at 0x00000281B51AF420, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000281B51AE5C0, 16 bytes long.
 Data: <@1 &#181;            > 40 31 1B B5 81 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000281B51B3140, 40 bytes long.
 Data: <&#192;&#229; &#181;     &#244; &#181;    > C0 E5 1A B5 81 02 00 00 20 F4 1A B5 81 02 00 00 
{66} normal block at 0x00000281B51AE980, 16 bytes long.
 Data: < &#234;&#145;&#237;&#247;           > 80 EA 91 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000281B51ADEE0, 16 bytes long.
 Data: <@&#233;&#145;&#237;&#247;           > 40 E9 91 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000281B51AE070, 16 bytes long.
 Data: <&#248;W&#142;&#237;&#247;           > F8 57 8E ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000281B51AE2A0, 16 bytes long.
 Data: <&#216;W&#142;&#237;&#247;           > D8 57 8E ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000281B51ADE90, 16 bytes long.
 Data: <P &#142;&#237;&#247;           > 50 04 8E ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000281B51ADBC0, 16 bytes long.
 Data: <0 &#142;&#237;&#247;           > 30 04 8E ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000281B51AE660, 16 bytes long.
 Data: <&#224; &#142;&#237;&#247;           > E0 02 8E ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000281B51AE700, 16 bytes long.
 Data: <  &#142;&#237;&#247;           > 10 04 8E ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000281B51ADE40, 16 bytes long.
 Data: <p &#142;&#237;&#247;           > 70 04 8E ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000281B51AE020, 16 bytes long.
 Data: < &#192;&#140;&#237;&#247;           > 18 C0 8C ED F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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