Task 38579720

Name JNK1_A20_A30_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9570_0
Workunit 31545055
Created 11 Dec 2025, 13:17:09 UTC
Sent 11 Dec 2025, 13:17:12 UTC
Report deadline 16 Dec 2025, 13:17:12 UTC
Received 11 Dec 2025, 13:21:41 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 612458
Run time 2 min 24 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 56.79 MB
Peak swap size 41.31 MB
Peak disk usage 1.42 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
 - exit code 195 (0xc3)</message>
<stderr_txt>
21:19:14 (44608): wrapper (7.9.26016): starting
21:19:14 (44608): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A30_0.pdb
QB_A20_A30_0.xml
QB_A20_A30_equil.pdb
QB_A20_A30.inpcrd
QB_A20_A30_input.yaml
QB_A20_A30_mdlambda.pdb
QB_A20_A30_min.pdb
QB_A20_A30_npt.pdb
QB_A20_A30_out_merged_nowater.pdb
QB_A20_A30.pdb
QB_A20_A30.prmtop
QB_A20_A30_sys.xml
QB_A20_A30_therm.pdb
run.bat
run.sh
21:19:15 (44608): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:19:15 (44608): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000027261A0FF10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
  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-edle52h3'
  Cloning into 'C:\ProgramData\BOINC\slots\0\pip-req-build-edle52h3'...
  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-edle52h3' 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-edle52h3'
  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-edle52h3' 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
21:20:18 (44608): C:/Windows/system32/cmd.exe exited; CPU time 1.125000
21:20:18 (44608): app exit status: 0x16
21:20:18 (44608): 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: 794323 bytes.
Dumping objects ->
{3835494} normal block at 0x000001FB64816080, 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 0x000001FB62BC2060, 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 0x000001FB62BC1FF0, 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 0x000001FB62BC1F10, 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 0x000001FB62BC1EA0, 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 0x000001FB6476B780, 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 0x000001FB62BBD5F0, 8 bytes long.
 Data: <  hd&#251;   > 00 00 68 64 FB 01 00 00 
{3833951} normal block at 0x000001FB62BBCE70, 8 bytes long.
 Data: <&#192;R d&#251;   > C0 52 81 64 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001FB62BB4F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FB62BAB830, 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 0x000001FB62BC2B20, 16 bytes long.
 Data: <&#184;<&#188;b&#251;           > B8 3C BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FB62BC2760, 16 bytes long.
 Data: < <&#188;b&#251;           > 90 3C BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FB62BBDE70, 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 0x000001FB62BC25D0, 16 bytes long.
 Data: <h<&#188;b&#251;           > 68 3C BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FB62BC2AD0, 16 bytes long.
 Data: <@<&#188;b&#251;           > 40 3C BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FB62BC26C0, 16 bytes long.
 Data: < <&#188;b&#251;           > 18 3C BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB62BC2E90, 16 bytes long.
 Data: <&#240;;&#188;b&#251;           > F0 3B BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB62BC2300, 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 0x000001FB62BC2670, 16 bytes long.
 Data: < &#179;&#186;b&#251;           > 08 B3 BA 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FB62BBE350, 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 0x000001FB62BC2E40, 16 bytes long.
 Data: <&#224;&#178;&#186;b&#251;           > E0 B2 BA 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FB62BC34D0, 16 bytes long.
 Data: <&#184;&#178;&#186;b&#251;           > B8 B2 BA 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FB62BC3020, 16 bytes long.
 Data: < &#178;&#186;b&#251;           > 90 B2 BA 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB62BC3480, 16 bytes long.
 Data: <h&#178;&#186;b&#251;           > 68 B2 BA 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FB62BC3340, 16 bytes long.
 Data: <@&#178;&#186;b&#251;           > 40 B2 BA 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FB62BC2C10, 16 bytes long.
 Data: < &#178;&#186;b&#251;           > 18 B2 BA 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FB62BBE170, 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 0x000001FB62BC2710, 16 bytes long.
 Data: <&#240;&#177;&#186;b&#251;           > F0 B1 BA 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FB62BAB1F0, 320 bytes long.
 Data: < '&#188;b&#251;   p&#225;&#187;b&#251;   > 10 27 BC 62 FB 01 00 00 70 E1 BB 62 FB 01 00 00 
{271} normal block at 0x000001FB62BC3160, 16 bytes long.
 Data: <&#208;;&#188;b&#251;           > D0 3B BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FB62BC2940, 16 bytes long.
 Data: <&#168;;&#188;b&#251;           > A8 3B BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB62BBDFF0, 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 0x000001FB62BC2D50, 16 bytes long.
 Data: < ;&#188;b&#251;           > 80 3B BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FB62BBE5F0, 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 0x000001FB62BC32F0, 16 bytes long.
 Data: <&#200;:&#188;b&#251;           > C8 3A BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FB62BC3430, 16 bytes long.
 Data: <&#160;:&#188;b&#251;           > A0 3A BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FB62BC32A0, 16 bytes long.
 Data: <x:&#188;b&#251;           > 78 3A BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FB62BC2FD0, 16 bytes long.
 Data: <P:&#188;b&#251;           > 50 3A BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FB62BC2F30, 16 bytes long.
 Data: <(:&#188;b&#251;           > 28 3A BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FB62BC2DF0, 16 bytes long.
 Data: < :&#188;b&#251;           > 00 3A BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FB62BC2BC0, 16 bytes long.
 Data: <p#&#188;b&#251;           > 70 23 BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FB62BC2370, 40 bytes long.
 Data: <&#192;+&#188;b&#251;    &#183;vd&#251;   > C0 2B BC 62 FB 01 00 00 80 B7 76 64 FB 01 00 00 
{257} normal block at 0x000001FB62BC33E0, 16 bytes long.
 Data: <&#224;9&#188;b&#251;           > E0 39 BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FB62BC3520, 16 bytes long.
 Data: <&#184;9&#188;b&#251;           > B8 39 BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FB62BBE7D0, 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 0x000001FB62BC3250, 16 bytes long.
 Data: < 9&#188;b&#251;           > 90 39 BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FB62BC3990, 992 bytes long.
 Data: <P2&#188;b&#251;   &#208;&#231;&#187;b&#251;   > 50 32 BC 62 FB 01 00 00 D0 E7 BB 62 FB 01 00 00 
{89} normal block at 0x000001FB62BBDE10, 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 0x000001FB62BBCFB0, 16 bytes long.
 Data: <&#208; &#188;b&#251;           > D0 20 BC 62 FB 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001FB62BC20D0, 40 bytes long.
 Data: <&#176;&#207;&#187;b&#251;    &#222;&#187;b&#251;   > B0 CF BB 62 FB 01 00 00 10 DE BB 62 FB 01 00 00 
{66} normal block at 0x000001FB62BBCD30, 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 0x000001FB62BBD500, 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 0x000001FB62BBCCE0, 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 0x000001FB62BBD2D0, 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 0x000001FB62BBD4B0, 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 0x000001FB62BBDAF0, 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 0x000001FB62BBD910, 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 0x000001FB62BBCDD0, 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 0x000001FB62BBD640, 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 0x000001FB62BBDBE0, 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>
]]>


©2025 Universitat Pompeu Fabra