Task 38580274

Name JNK1_A01_A04_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND2908_7
Workunit 31544995
Created 11 Dec 2025, 14:24:32 UTC
Sent 11 Dec 2025, 14:24:37 UTC
Report deadline 16 Dec 2025, 14:24:37 UTC
Received 11 Dec 2025, 14:32:53 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 611154
Run time 3 min 22 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 49,330.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
Peak working set size 44.85 MB
Peak swap size 99.99 MB
Peak disk usage 1.49 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
process exited with code 195 (0xc3, -61)</message>
<stderr_txt>
2025-12-11 15:28:34 (373928): wrapper (8.1.26018): starting
2025-12-11 15:28:55 (373928): wrapper: running bin/python (bin/conda-unpack)
2025-12-11 15:28:55 (373928): wrapper: created child process 373940
2025-12-11 15:28:56 (373928): bin/python exited; CPU time 0.090156
2025-12-11 15:28:56 (373928): wrapper: running bin/tar (xjvf input.tar.bz2)
2025-12-11 15:28:56 (373928): wrapper: created child process 373941
2025-12-11 15:28:58 (373928): bin/tar exited; CPU time 1.016378
2025-12-11 15:28:58 (373928): wrapper: running bin/bash (run.sh)
2025-12-11 15:28:58 (373928): wrapper: created child process 373944
+ echo 'Setup environment'
+ source bin/activate
++ _conda_pack_activate
++ local _CONDA_SHELL_FLAVOR
++ '[' -n x ']'
++ _CONDA_SHELL_FLAVOR=bash
++ local script_dir
++ case "$_CONDA_SHELL_FLAVOR" in
+++ dirname bin/activate
++ script_dir=bin
+++ cd bin
+++ pwd
++ local full_path_script_dir=/var/lib/boinc-client/slots/27/bin
+++ dirname /var/lib/boinc-client/slots/27/bin
++ local full_path_env=/var/lib/boinc-client/slots/27
+++ basename /var/lib/boinc-client/slots/27
++ local env_name=27
++ '[' -n '' ']'
++ export CONDA_PREFIX=/var/lib/boinc-client/slots/27
++ CONDA_PREFIX=/var/lib/boinc-client/slots/27
++ export _CONDA_PACK_OLD_PS1=
++ _CONDA_PACK_OLD_PS1=
++ PATH=/var/lib/boinc-client/slots/27/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
++ PS1='(27) '
++ case "$_CONDA_SHELL_FLAVOR" in
++ hash -r
++ local _script_dir=/var/lib/boinc-client/slots/27/etc/conda/activate.d
++ '[' -d /var/lib/boinc-client/slots/27/etc/conda/activate.d ']'
+ export PATH=/var/lib/boinc-client/slots/27:/var/lib/boinc-client/slots/27/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ PATH=/var/lib/boinc-client/slots/27:/var/lib/boinc-client/slots/27/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ echo 'Create a temporary directory'
+ export TMP=/var/lib/boinc-client/slots/27/tmp
+ TMP=/var/lib/boinc-client/slots/27/tmp
+ mkdir -p /var/lib/boinc-client/slots/27/tmp
+ echo 'Configure AToM'
+ echo localhost,0:1,1,CUDA,,/var/lib/boinc-client/slots/27/tmp
+ FILE=starting_sample
+ '[' -f starting_sample ']'
+ echo 'starting_sample does not exist.'
+ echo 'Install ATM and deps'
+ python -m pip list
+ python -m pip install pyaml -v
+ python -m pip install --no-dependencies git+https://github.com/Acellera/atm.git -v
  Running command git version
  git version 2.47.0
  Running command git clone --filter=blob:none https://github.com/Acellera/atm.git /var/lib/boinc-client/slots/27/tmp/pip-req-build-qchrb4nk
  Cloning into '/var/lib/boinc-client/slots/27/tmp/pip-req-build-qchrb4nk'...
  error: RPC failed; curl 92 HTTP/2 stream 3 was not closed cleanly: CANCEL (err 8)
  error: 8227 bytes of body are still expected
  fetch-pack: unexpected disconnect while reading sideband packet
  fatal: early EOF
  fatal: fetch-pack: invalid index-pack output
  fatal: could not fetch 72eafe51267c4f75d7aeda2b14cebd77291e67fc from promisor remote
  warning: Clone succeeded, but checkout failed.
  You can inspect what was checked out with 'git status'
  and retry with 'git restore --source=HEAD :/'

  error: subprocess-exited-with-error
  
  &#195;&#151; git clone --filter=blob:none https://github.com/Acellera/atm.git /var/lib/boinc-client/slots/27/tmp/pip-req-build-qchrb4nk did not run successfully.
  &#226;&#148;&#130; exit code: 128
  &#226;&#149;&#176;&#226;&#148;&#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 /var/lib/boinc-client/slots/27/tmp/pip-req-build-qchrb4nk
  cwd: [inherit]
error: subprocess-exited-with-error

&#195;&#151; git clone --filter=blob:none https://github.com/Acellera/atm.git /var/lib/boinc-client/slots/27/tmp/pip-req-build-qchrb4nk did not run successfully.
&#226;&#148;&#130; exit code: 128
&#226;&#149;&#176;&#226;&#148;&#128;> See above for output.

note: This error originates from a subprocess, and is likely not a problem with pip.
2025-12-11 15:31:56 (373928): bin/bash exited; CPU time 0.709983
2025-12-11 15:31:56 (373928): app exit status: 0x1
2025-12-11 15:31:56 (373928): called boinc_finish(195)

</stderr_txt>
]]>


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