Task 38579808

Name JNK1_A28_A21_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND6926_0
Workunit 31545104
Created 11 Dec 2025, 13:21:36 UTC
Sent 11 Dec 2025, 13:21:41 UTC
Report deadline 16 Dec 2025, 13:21:41 UTC
Received 11 Dec 2025, 13:24:57 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 1 sec
CPU time
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 22.94 MB
Peak swap size 11.45 MB
Peak disk usage 3.92 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
 - exit code 195 (0xc3)</message>
<stderr_txt>
21:22:53 (41564): wrapper (7.9.26016): starting
21:22:53 (41564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A21_0.pdb
QB_A28_A21_0.xml
QB_A28_A21_equil.pdb
QB_A28_A21.inpcrd
QB_A28_A21_input.yaml
QB_A28_A21_mdlambda.pdb
QB_A28_A21_min.pdb
QB_A28_A21_npt.pdb
QB_A28_A21_out_merged_nowater.pdb
QB_A28_A21.pdb
QB_A28_A21.prmtop
QB_A28_A21_sys.xml
QB_A28_A21_therm.pdb
run.bat
run.sh
21:22:54 (41564): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:22:54 (41564): 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-2yd4p65g'
  Cloning into 'C:\ProgramData\BOINC\slots\0\pip-req-build-2yd4p65g'...
  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-2yd4p65g' 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-2yd4p65g'
  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-2yd4p65g' 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
21:23:03 (41564): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
21:23:03 (41564): app exit status: 0x16
21:23:03 (41564): 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: 245759 bytes.
Dumping objects ->
{3835494} normal block at 0x000001DB5DDF67F0, 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 0x000001DB5C232060, 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 0x000001DB5C231FF0, 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 0x000001DB5C231F80, 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 0x000001DB5C231F10, 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 0x000001DB5DD4BD00, 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 0x000001DB5C22DA00, 8 bytes long.
 Data: <  &#200;]&#219;   > 00 00 C8 5D DB 01 00 00 
{3833951} normal block at 0x000001DB5C22D550, 8 bytes long.
 Data: <&#192;R&#223;]&#219;   > C0 52 DF 5D DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001DB5C225800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DB5C21B830, 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 0x000001DB5C232AD0, 16 bytes long.
 Data: <&#184;<#\&#219;           > B8 3C 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DB5C232F30, 16 bytes long.
 Data: < <#\&#219;           > 90 3C 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DB5C22E770, 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 0x000001DB5C232EE0, 16 bytes long.
 Data: <h<#\&#219;           > 68 3C 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DB5C2328F0, 16 bytes long.
 Data: <@<#\&#219;           > 40 3C 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DB5C233520, 16 bytes long.
 Data: < <#\&#219;           > 18 3C 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DB5C232BC0, 16 bytes long.
 Data: <&#240;;#\&#219;           > F0 3B 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DB5C2320D0, 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 0x000001DB5C232800, 16 bytes long.
 Data: < &#179;!\&#219;           > 08 B3 21 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DB5C22E230, 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 0x000001DB5C2333E0, 16 bytes long.
 Data: <&#224;&#178;!\&#219;           > E0 B2 21 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DB5C2327B0, 16 bytes long.
 Data: <&#184;&#178;!\&#219;           > B8 B2 21 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DB5C2325D0, 16 bytes long.
 Data: < &#178;!\&#219;           > 90 B2 21 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DB5C2334D0, 16 bytes long.
 Data: <h&#178;!\&#219;           > 68 B2 21 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DB5C232CB0, 16 bytes long.
 Data: <@&#178;!\&#219;           > 40 B2 21 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DB5C232710, 16 bytes long.
 Data: < &#178;!\&#219;           > 18 B2 21 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DB5C22EAD0, 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 0x000001DB5C233390, 16 bytes long.
 Data: <&#240;&#177;!\&#219;           > F0 B1 21 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DB5C21B1F0, 320 bytes long.
 Data: < 3#\&#219;   &#208;&#234;"\&#219;   > 90 33 23 5C DB 01 00 00 D0 EA 22 5C DB 01 00 00 
{271} normal block at 0x000001DB5C2328A0, 16 bytes long.
 Data: <&#208;;#\&#219;           > D0 3B 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DB5C233070, 16 bytes long.
 Data: <&#168;;#\&#219;           > A8 3B 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DB5C22EA70, 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 0x000001DB5C233480, 16 bytes long.
 Data: < ;#\&#219;           > 80 3B 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DB5C22E950, 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 0x000001DB5C232850, 16 bytes long.
 Data: <&#200;:#\&#219;           > C8 3A 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DB5C232760, 16 bytes long.
 Data: <&#160;:#\&#219;           > A0 3A 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DB5C232A80, 16 bytes long.
 Data: <x:#\&#219;           > 78 3A 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DB5C232FD0, 16 bytes long.
 Data: <P:#\&#219;           > 50 3A 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DB5C2326C0, 16 bytes long.
 Data: <(:#\&#219;           > 28 3A 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DB5C232D00, 16 bytes long.
 Data: < :#\&#219;           > 00 3A 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DB5C233160, 16 bytes long.
 Data: <@!#\&#219;           > 40 21 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DB5C232140, 40 bytes long.
 Data: <`1#\&#219;    &#189;&#212;]&#219;   > 60 31 23 5C DB 01 00 00 00 BD D4 5D DB 01 00 00 
{257} normal block at 0x000001DB5C233430, 16 bytes long.
 Data: <&#224;9#\&#219;           > E0 39 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DB5C233020, 16 bytes long.
 Data: <&#184;9#\&#219;           > B8 39 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DB5C22E170, 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 0x000001DB5C232670, 16 bytes long.
 Data: < 9#\&#219;           > 90 39 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001DB5C233990, 992 bytes long.
 Data: <p&#\&#219;   p&#225;"\&#219;   > 70 26 23 5C DB 01 00 00 70 E1 22 5C DB 01 00 00 
{89} normal block at 0x000001DB5C22E710, 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 0x000001DB5C22D640, 16 bytes long.
 Data: <p##\&#219;           > 70 23 23 5C DB 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001DB5C232370, 40 bytes long.
 Data: <@&#214;"\&#219;    &#231;"\&#219;   > 40 D6 22 5C DB 01 00 00 10 E7 22 5C DB 01 00 00 
{66} normal block at 0x000001DB5C22DB90, 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 0x000001DB5C22CD30, 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 0x000001DB5C22CF60, 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 0x000001DB5C22D050, 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 0x000001DB5C22DB40, 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 0x000001DB5C22D280, 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 0x000001DB5C22CE20, 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 0x000001DB5C22D000, 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 0x000001DB5C22D960, 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 0x000001DB5C22DAF0, 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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