Task 38688004

Name	test_890-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1008_0
Workunit	31629374
Created	28 Oct 2026, 11:02:10 UTC
Sent	28 Oct 2026, 11:02:14 UTC
Report deadline	2 Nov 2026, 11:02:14 UTC
Received	28 Oct 2026, 14:14:16 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	651702
Run time	35 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	19,295.78 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu
Peak working set size	47.09 MB
Peak swap size	56.79 MB
Peak disk usage	1.44 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
process exited with code 195 (0xc3, -61)</message>
<stderr_txt>
2026-10-28 11:37:53 (167472): wrapper (8.1.26018): starting
2026-10-28 11:38:14 (167472): wrapper: running bin/python (bin/conda-unpack)
2026-10-28 11:38:14 (167472): wrapper: created child process 167515
2026-10-28 11:38:15 (167472): bin/python exited; CPU time 0.160018
2026-10-28 11:38:15 (167472): wrapper: running bin/tar (xjvf input.tar.bz2)
2026-10-28 11:38:15 (167472): wrapper: created child process 167516
2026-10-28 11:38:16 (167472): bin/tar exited; CPU time 0.661985
2026-10-28 11:38:16 (167472): wrapper: running bin/bash (run.sh)
2026-10-28 11:38:16 (167472): wrapper: created child process 167518
+ echo 'Setup environment'
+ source bin/activate
++ _conda_pack_activate
++ local _CONDA_SHELL_FLAVOR
++ '[' -n x ']'
++ _CONDA_SHELL_FLAVOR=bash
++ local script_dir
++ case "$_CONDA_SHELL_FLAVOR" in
+++ dirname bin/activate
++ script_dir=bin
+++ cd bin
+++ pwd
++ local full_path_script_dir=/var/lib/boinc-client/slots/33/bin
+++ dirname /var/lib/boinc-client/slots/33/bin
++ local full_path_env=/var/lib/boinc-client/slots/33
+++ basename /var/lib/boinc-client/slots/33
++ local env_name=33
++ '[' -n '' ']'
++ export CONDA_PREFIX=/var/lib/boinc-client/slots/33
++ CONDA_PREFIX=/var/lib/boinc-client/slots/33
++ export _CONDA_PACK_OLD_PS1=
++ _CONDA_PACK_OLD_PS1=
++ PATH=/var/lib/boinc-client/slots/33/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
++ PS1='(33) '
++ case "$_CONDA_SHELL_FLAVOR" in
++ hash -r
++ local _script_dir=/var/lib/boinc-client/slots/33/etc/conda/activate.d
++ '[' -d /var/lib/boinc-client/slots/33/etc/conda/activate.d ']'
+ export PATH=/var/lib/boinc-client/slots/33:/var/lib/boinc-client/slots/33/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ PATH=/var/lib/boinc-client/slots/33:/var/lib/boinc-client/slots/33/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/33/tmp
+ TMP=/var/lib/boinc-client/slots/33/tmp
+ mkdir -p /var/lib/boinc-client/slots/33/tmp
+ echo 'Configure AToM'
+ echo localhost,0:0,1,CUDA,,/var/lib/boinc-client/slots/33/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==26.2.1 -v
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 0x7697116dee90>: Failed to establish a new connection: [Errno -2] Name or service not known')': /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 0x7697114e8750>: Failed to establish a new connection: [Errno -2] Name or service not known')': /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 0x7697114e9090>: Failed to establish a new connection: [Errno -2] Name or service not known')': /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 0x7697114e9950>: Failed to establish a new connection: [Errno -2] Name or service not known')': /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 0x7697114ea290>: Failed to establish a new connection: [Errno -2] Name or service not known')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml==26.2.1 (from versions: none)
ERROR: No matching distribution found for pyaml==26.2.1
2026-10-28 11:38:26 (167472): bin/bash exited; CPU time 0.893847
2026-10-28 11:38:26 (167472): app exit status: 0x1
2026-10-28 11:38:26 (167472): called boinc_finish(195)

</stderr_txt>
]]>