Task 38584090

Name JNK1_A25_A38_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND3448_3
Workunit 31545083
Created 16 Dec 2025, 13:29:00 UTC
Sent 16 Dec 2025, 13:29:04 UTC
Report deadline 21 Dec 2025, 13:29:04 UTC
Received 16 Dec 2025, 18:31:04 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 645957
Run time 5 min 41 sec
CPU time 4 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 20,317.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
Peak working set size 50.51 MB
Peak swap size 132.03 MB
Peak disk usage 2.79 GB

Stderr output

<core_client_version>8.0.4</core_client_version>
<![CDATA[
<message>
process exited with code 195 (0xc3, -61)</message>
<stderr_txt>
2025-12-17 02:23:23 (2760): wrapper (8.1.26018): starting
2025-12-17 02:23:59 (2760): wrapper: running bin/python (bin/conda-unpack)
2025-12-17 02:23:59 (2760): wrapper: created child process 2975
2025-12-17 02:24:00 (2760): bin/python exited; CPU time 0.425366
2025-12-17 02:24:00 (2760): wrapper: running bin/tar (xjvf input.tar.bz2)
2025-12-17 02:24:00 (2760): wrapper: created child process 2976
2025-12-17 02:24:03 (2760): bin/tar exited; CPU time 2.612156
2025-12-17 02:24:03 (2760): wrapper: running bin/bash (run.sh)
2025-12-17 02:24:03 (2760): wrapper: created child process 2978
+ echo 'Setup environment'
+ source bin/activate
++ _conda_pack_activate
++ local _CONDA_SHELL_FLAVOR
++ '[' -n x ']'
++ _CONDA_SHELL_FLAVOR=bash
++ local script_dir
++ case "$_CONDA_SHELL_FLAVOR" in
+++ dirname bin/activate
++ script_dir=bin
+++ cd bin
+++ pwd
++ local full_path_script_dir=/var/lib/boinc-client/slots/1/bin
+++ dirname /var/lib/boinc-client/slots/1/bin
++ local full_path_env=/var/lib/boinc-client/slots/1
+++ basename /var/lib/boinc-client/slots/1
++ local env_name=1
++ '[' -n '' ']'
++ export CONDA_PREFIX=/var/lib/boinc-client/slots/1
++ CONDA_PREFIX=/var/lib/boinc-client/slots/1
++ export _CONDA_PACK_OLD_PS1=
++ _CONDA_PACK_OLD_PS1=
++ PATH=/var/lib/boinc-client/slots/1/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
++ PS1='(1) '
++ case "$_CONDA_SHELL_FLAVOR" in
++ hash -r
++ local _script_dir=/var/lib/boinc-client/slots/1/etc/conda/activate.d
++ '[' -d /var/lib/boinc-client/slots/1/etc/conda/activate.d ']'
+ export PATH=/var/lib/boinc-client/slots/1:/var/lib/boinc-client/slots/1/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ PATH=/var/lib/boinc-client/slots/1:/var/lib/boinc-client/slots/1/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/1/tmp
+ TMP=/var/lib/boinc-client/slots/1/tmp
+ mkdir -p /var/lib/boinc-client/slots/1/tmp
+ echo 'Configure AToM'
+ echo localhost,0:0,1,CUDA,,/var/lib/boinc-client/slots/1/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/1/tmp/pip-req-build-tn2fbpnf
  Cloning into '/var/lib/boinc-client/slots/1/tmp/pip-req-build-tn2fbpnf'...
  fatal: unable to access 'https://github.com/Acellera/atm.git/': Failed to connect to github.com port 443 after 134648 ms: Could not connect to server
  error: subprocess-exited-with-error
  
  &#195;&#151; git clone --filter=blob:none https://github.com/Acellera/atm.git /var/lib/boinc-client/slots/1/tmp/pip-req-build-tn2fbpnf 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/1/tmp/pip-req-build-tn2fbpnf
  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/1/tmp/pip-req-build-tn2fbpnf 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.
2025-12-17 02:29:02 (2760): bin/bash exited; CPU time 3.596492
2025-12-17 02:29:02 (2760): app exit status: 0x1
2025-12-17 02:29:02 (2760): called boinc_finish(195)

</stderr_txt>
]]>


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