Task 38580440

Name	JNK1_A20_A16_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8412_3
Workunit	31545048
Created	11 Dec 2025, 14:36:20 UTC
Sent	11 Dec 2025, 14:36:24 UTC
Report deadline	16 Dec 2025, 14:36:24 UTC
Received	11 Dec 2025, 17:39:10 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	646849
Run time	57 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	31,246.27 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	46.84 MB
Peak swap size	34.28 MB
Peak disk usage	2.81 GB
Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
���ϵͳ�޷����� (null)��
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
01:34:37 (19896): wrapper (7.9.26016): starting
01:34:37 (19896): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A16_0.pdb
QB_A20_A16_0.xml
QB_A20_A16_equil.pdb
QB_A20_A16.inpcrd
QB_A20_A16_input.yaml
QB_A20_A16_mdlambda.pdb
QB_A20_A16_min.pdb
QB_A20_A16_npt.pdb
QB_A20_A16_out_merged_nowater.pdb
QB_A20_A16.pdb
QB_A20_A16.prmtop
QB_A20_A16_sys.xml
QB_A20_A16_therm.pdb
run.bat
run.sh
01:34:38 (19896): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:34:38 (19896): 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\16\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\16\pip-req-build-1w48f2j1'
  Cloning into 'C:\ProgramData\BOINC\slots\16\pip-req-build-1w48f2j1'...
  fatal: unable to access 'https://github.com/Acellera/atm.git/': Failed to connect to github.com port 443 after 21214 ms: Could not connect to server
  error: subprocess-exited-with-error
  
  git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\16\pip-req-build-1w48f2j1' 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\16\pip-req-build-1w48f2j1'
  cwd: [inherit]
error: subprocess-exited-with-error

git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\16\pip-req-build-1w48f2j1' 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\\16\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
01:35:03 (19896): C:/Windows/system32/cmd.exe exited; CPU time 0.781250
01:35:03 (19896): app exit status: 0x16
01:35:03 (19896): 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: 604499 bytes.
Dumping objects ->
{3835647} normal block at 0x000001B7DD9F0D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835636} normal block at 0x000001B7DD9F1410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835625} normal block at 0x000001B7DD9F0AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835614} normal block at 0x000001B7DD9F1250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835603} normal block at 0x000001B7DD9F0BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835572} normal block at 0x000001B7DDA9EF10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835561} normal block at 0x000001B7DDB016D0, 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) : {3835558} normal block at 0x000001B7DBACB9E0, 8 bytes long.
 Data: <        > 00 00 A5 DB B7 01 00 00 
{3834797} normal block at 0x000001B7DDB01410, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834065} normal block at 0x000001B7DBACBBC0, 8 bytes long.
 Data: <        > D0 E6 BA DD B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B7DBAD5490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B7DBABF430, 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 0x000001B7DBAD7100, 16 bytes long.
 Data: < z              > C8 7A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B7DBAD6ED0, 16 bytes long.
 Data: < z              > A0 7A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B7DBAD2670, 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 0x000001B7DBAD7150, 16 bytes long.
 Data: <xz              > 78 7A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B7DBAD6570, 16 bytes long.
 Data: <Pz              > 50 7A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B7DBAD6DE0, 16 bytes long.
 Data: <(z              > 28 7A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B7DBAD66B0, 16 bytes long.
 Data: < z              > 00 7A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B7DBAD07D0, 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 0x000001B7DBAD6480, 16 bytes long.
 Data: <8               > 38 1B AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B7DBAD2190, 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 0x000001B7DBAD7060, 16 bytes long.
 Data: <                > 10 1B AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B7DBAD65C0, 16 bytes long.
 Data: <                > E8 1A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B7DBAD68E0, 16 bytes long.
 Data: <                > C0 1A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B7DBAD6430, 16 bytes long.
 Data: <                > 98 1A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B7DBAD6E80, 16 bytes long.
 Data: <p               > 70 1A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B7DBAD6840, 16 bytes long.
 Data: <H               > 48 1A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B7DBAD2130, 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 0x000001B7DBAD6CA0, 16 bytes long.
 Data: <                > 20 1A AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B7DBAD1A20, 320 bytes long.
 Data: < l      0!      > A0 6C AD DB B7 01 00 00 30 21 AD DB B7 01 00 00 
{278} normal block at 0x000001B7DBAD67F0, 16 bytes long.
 Data: < y              > E0 79 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B7DBAD7290, 16 bytes long.
 Data: < y              > B8 79 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B7DBAD2A90, 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 0x000001B7DBAD6D40, 16 bytes long.
 Data: < y              > 90 79 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B7DBAD2070, 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 0x000001B7DBAD63E0, 16 bytes long.
 Data: < x              > D8 78 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B7DBAD67A0, 16 bytes long.
 Data: < x              > B0 78 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B7DBAD7330, 16 bytes long.
 Data: < x              > 88 78 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B7DBAD7010, 16 bytes long.
 Data: <`x              > 60 78 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B7DBAD6CF0, 16 bytes long.
 Data: <8x              > 38 78 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B7DBAD6520, 16 bytes long.
 Data: < x              > 10 78 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B7DBAD6B10, 16 bytes long.
 Data: <                > B0 08 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B7DBAD08B0, 40 bytes long.
 Data: < k              > 10 6B AD DB B7 01 00 00 10 EF A9 DD B7 01 00 00 
{264} normal block at 0x000001B7DBAD6AC0, 16 bytes long.
 Data: < w              > F0 77 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B7DBAD70B0, 16 bytes long.
 Data: < w              > C8 77 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B7DBAD27F0, 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 0x000001B7DBAD6D90, 16 bytes long.
 Data: < w              > A0 77 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B7DBAD77A0, 992 bytes long.
 Data: < m       '      > 90 6D AD DB B7 01 00 00 F0 27 AD DB B7 01 00 00 
{96} normal block at 0x000001B7DBAD1DD0, 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 0x000001B7DBACBDF0, 16 bytes long.
 Data: <                > 00 03 AD DB B7 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001B7DBAD0300, 40 bytes long.
 Data: <                > F0 BD AC DB B7 01 00 00 D0 1D AD DB B7 01 00 00 
{71} normal block at 0x000001B7DBACB8F0, 16 bytes long.
 Data: <                > 80 EA 97 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B7DBACB670, 16 bytes long.
 Data: <@               > 40 E9 97 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B7DBACB4E0, 16 bytes long.
 Data: < W              > F8 57 94 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B7DBACC340, 16 bytes long.
 Data: < W              > D8 57 94 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B7DBACBCB0, 16 bytes long.
 Data: <P               > 50 04 94 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B7DBACBB20, 16 bytes long.
 Data: <0               > 30 04 94 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B7DBACC2F0, 16 bytes long.
 Data: <                > E0 02 94 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B7DBACC250, 16 bytes long.
 Data: <                > 10 04 94 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B7DBACC020, 16 bytes long.
 Data: <p               > 70 04 94 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B7DBACC2A0, 16 bytes long.
 Data: <                > 18 C0 92 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>