Task 38579915

Name JNK1_A30_A37_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND3236_1
Workunit 31545107
Created 11 Dec 2025, 13:27:52 UTC
Sent 11 Dec 2025, 13:27:53 UTC
Report deadline 16 Dec 2025, 13:27:53 UTC
Received 16 Dec 2025, 12:42:21 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 637154
Run time 5 min 23 sec
CPU time 16 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,278.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 54.01 MB
Peak swap size 39.08 MB
Peak disk usage 2.76 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:25:00 (26444): wrapper (7.9.26016): starting
13:25:00 (26444): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A30_A37_0.pdb
QB_A30_A37_0.xml
QB_A30_A37_equil.pdb
QB_A30_A37.inpcrd
QB_A30_A37_input.yaml
QB_A30_A37_mdlambda.pdb
QB_A30_A37_min.pdb
QB_A30_A37_npt.pdb
QB_A30_A37_out_merged_nowater.pdb
QB_A30_A37.pdb
QB_A30_A37.prmtop
QB_A30_A37_sys.xml
QB_A30_A37_therm.pdb
run.bat
run.sh
13:25:37 (26444): Library/usr/bin/tar.exe exited; CPU time 2.156250
13:25:37 (26444): 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 0x0000024EF62D1650>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000024EF62DC610>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000024EF62DD050>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000024EF62DD910>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000024EF62DE250>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
  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\24\pip-req-build-3zn1q7hd'
  Cloning into 'C:\ProgramData\BOINC\slots\24\pip-req-build-3zn1q7hd'...
  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\24\pip-req-build-3zn1q7hd' 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\24\pip-req-build-3zn1q7hd'
  cwd: [inherit]
error: subprocess-exited-with-error

git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\24\pip-req-build-3zn1q7hd' 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\\24\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
13:27:07 (26444): C:/Windows/system32/cmd.exe exited; CPU time 14.796875
13:27:07 (26444): app exit status: 0x16
13:27:07 (26444): 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: 1886707 bytes.
Dumping objects ->
{3835255} normal block at 0x0000022C686948D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000022C68694B70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000022C68694B00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000022C68694780, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000022C68694630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000022C6A347140, 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) : {3835167} normal block at 0x0000022C6868DD60, 8 bytes long.
 Data: <  _h,   > 00 00 5F 68 2C 02 00 00 
{3833953} normal block at 0x0000022C6868D2C0, 8 bytes long.
 Data: <p&#235;%j,   > 70 EB 25 6A 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000022C68680870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022C68681990, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000022C68695BD0, 16 bytes long.
 Data: <&#184;dih,           > B8 64 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022C68695360, 16 bytes long.
 Data: < dih,           > 90 64 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022C68691040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000022C68695C70, 16 bytes long.
 Data: <hdih,           > 68 64 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022C68695D10, 16 bytes long.
 Data: <@dih,           > 40 64 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C68695B80, 16 bytes long.
 Data: < dih,           > 18 64 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022C686954F0, 16 bytes long.
 Data: <&#240;cih,           > F0 63 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C686949B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000022C68695770, 16 bytes long.
 Data: <  hh,           > 18 16 68 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022C68691100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000022C68695400, 16 bytes long.
 Data: <&#240; hh,           > F0 15 68 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C68695270, 16 bytes long.
 Data: <&#200; hh,           > C8 15 68 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C686959F0, 16 bytes long.
 Data: <&#160; hh,           > A0 15 68 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C68695720, 16 bytes long.
 Data: <x hh,           > 78 15 68 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C68695220, 16 bytes long.
 Data: <P hh,           > 50 15 68 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022C68695B30, 16 bytes long.
 Data: <( hh,           > 28 15 68 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C686909E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000022C686951D0, 16 bytes long.
 Data: <  hh,           > 00 15 68 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C68681500, 320 bytes long.
 Data: <&#208;Qih,   &#224;	ih,   > D0 51 69 68 2C 02 00 00 E0 09 69 68 2C 02 00 00 
{272} normal block at 0x0000022C68695810, 16 bytes long.
 Data: <&#208;cih,           > D0 63 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022C68695AE0, 16 bytes long.
 Data: <&#168;cih,           > A8 63 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C68690C20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000022C686959A0, 16 bytes long.
 Data: < cih,           > 80 63 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022C68691220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000022C686958B0, 16 bytes long.
 Data: <&#200;bih,           > C8 62 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022C68695950, 16 bytes long.
 Data: <&#160;bih,           > A0 62 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C68695900, 16 bytes long.
 Data: <xbih,           > 78 62 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C68695E50, 16 bytes long.
 Data: <Pbih,           > 50 62 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022C686954A0, 16 bytes long.
 Data: <(bih,           > 28 62 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022C68696080, 16 bytes long.
 Data: < bih,           > 00 62 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022C686953B0, 16 bytes long.
 Data: < Jih,           > 90 4A 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022C68694A90, 40 bytes long.
 Data: <&#176;Sih,   @q4j,   > B0 53 69 68 2C 02 00 00 40 71 34 6A 2C 02 00 00 
{258} normal block at 0x0000022C68695F40, 16 bytes long.
 Data: <&#224;aih,           > E0 61 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022C68695CC0, 16 bytes long.
 Data: <&#184;aih,           > B8 61 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022C68690EC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000022C68696120, 16 bytes long.
 Data: < aih,           > 90 61 69 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022C68696190, 992 bytes long.
 Data: < aih,   &#192; ih,   > 20 61 69 68 2C 02 00 00 C0 0E 69 68 2C 02 00 00 
{90} normal block at 0x0000022C68690FE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000022C6868D450, 16 bytes long.
 Data: <p&#198;gh,           > 70 C6 67 68 2C 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000022C6867C670, 40 bytes long.
 Data: <P&#212;hh,   &#224; ih,   > 50 D4 68 68 2C 02 00 00 E0 0F 69 68 2C 02 00 00 
{67} normal block at 0x0000022C6868CFF0, 16 bytes long.
 Data: < &#234;>'&#246;           > 80 EA 3E 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C6868D810, 16 bytes long.
 Data: <@&#233;>'&#246;           > 40 E9 3E 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022C6868DCC0, 16 bytes long.
 Data: <&#248;W;'&#246;           > F8 57 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022C6868DA40, 16 bytes long.
 Data: <&#216;W;'&#246;           > D8 57 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022C6868DDB0, 16 bytes long.
 Data: <P ;'&#246;           > 50 04 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022C6868DD10, 16 bytes long.
 Data: <0 ;'&#246;           > 30 04 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022C6868DB80, 16 bytes long.
 Data: <&#224; ;'&#246;           > E0 02 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022C6868CFA0, 16 bytes long.
 Data: <  ;'&#246;           > 10 04 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022C6868DB30, 16 bytes long.
 Data: <p ;'&#246;           > 70 04 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022C6868D270, 16 bytes long.
 Data: < &#192;9'&#246;           > 18 C0 39 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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