Task 38501485

Name	t1_4-SFARR_TEST_ATM_NEWCKPT2-0-5-RND7115_1
Workunit	31490088
Created	8 May 2025, 13:16:04 UTC
Sent	8 May 2025, 13:16:08 UTC
Report deadline	13 May 2025, 13:16:08 UTC
Received	10 May 2025, 21:24:07 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	625876
Run time	2 days 8 hours 7 min 36 sec
CPU time	1 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	2,239.93 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	48.84 MB
Peak swap size	34.59 MB
Peak disk usage	4.14 GB

Stderr output

<core_client_version>8.0.2</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 15:17:15 (153336): wrapper (7.9.26016): starting 15:17:15 (153336): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A08_A07_0.pdb QB_A08_A07_0.xml QB_A08_A07_asyncre.yaml QB_A08_A07.inpcrd QB_A08_A07.prmtop run.bat run.sh 15:17:17 (153336): Library/usr/bin/tar.exe exited; CPU time 0.000000 15:17:17 (153336): 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\1\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.gitt 'C:\ProgramData\BOINC\slots\1\pip-req-build-rp8a3r74' Cloning into 'C:\ProgramData\BOINC\slots\1\pip-req-build-rp8a3r74'... Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {3835433} normal block at 0x0000028E05D7EA90, 8 bytes long. Data: < > 00 00 D5 05 8E 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833972} normal block at 0x0000028E05D6E620, 1080 bytes long. Data: < D > 08 44 02 00 CD CD CD CD C0 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000028E05D729E0, 260 bytes long. Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 Object dump complete. </stderr_txt> ]]>