Log Snippet:
Code: Select all
17:06:55:WU02:FS00:0xa7:Project: 14580 (Run 0, Clone 424, Gen 1)
17:06:55:WU02:FS00:0xa7:Reading tar file core.xml
17:06:55:WU02:FS00:0xa7:Reading tar file frame1.tpr
17:06:55:WU02:FS00:0xa7:Digital signatures verified
17:06:55:WU02:FS00:0xa7:Calling: mdrun -s frame1.tpr -o frame1.trr -x frame1.xtc -cpt 15 -nt 15
17:06:55:WU02:FS00:0xa7:Steps: first=500000 total=500000
17:06:55:WU02:FS00:0xa7:ERROR:
17:06:55:WU02:FS00:0xa7:ERROR:-------------------------------------------------------
17:06:55:WU02:FS00:0xa7:ERROR:Program GROMACS, VERSION 5.0.4-20191026-456f0d636-unknown
17:06:55:WU02:FS00:0xa7:ERROR:Source code file: /host/debian-stable-64bit-core-a7-avx-release/gromacs-core/build/gromacs/src/gromacs/mdlib/domdec.c, line: 6902
17:06:55:WU02:FS00:0xa7:ERROR:
17:06:55:WU02:FS00:0xa7:ERROR:Fatal error:
17:06:55:WU02:FS00:0xa7:ERROR:There is no domain decomposition for 15 ranks that is compatible with the given box and a minimum cell size of 1.37225 nm
17:06:55:WU02:FS00:0xa7:ERROR:Change the number of ranks or mdrun option -rcon or -dds or your LINCS settings
17:06:55:WU02:FS00:0xa7:ERROR:Look in the log file for details on the domain decomposition
17:06:55:WU02:FS00:0xa7:ERROR:For more information and tips for troubleshooting, please check the GROMACS
17:06:55:WU02:FS00:0xa7:ERROR:website at http://www.gromacs.org/Documentation/Errors
17:06:55:WU02:FS00:0xa7:ERROR:-------------------------------------------------------
17:07:00:WU02:FS00:0xa7:WARNING:Unexpected exit() call
17:07:00:WU02:FS00:0xa7:WARNING:Unexpected exit from science code
17:07:00:WU02:FS00:0xa7:Saving result file ../logfile_01.txt
17:07:00:WU02:FS00:0xa7:Saving result file md.log
17:07:00:WU02:FS00:0xa7:Saving result file science.log
17:07:00:WU02:FS00:FahCore returned: INTERRUPTED (102 = 0x66)
17:07:00:WU02:FS00:Starting
17:07:00:WU02:FS00:Running FahCore: /usr/bin/FAHCoreWrapper /var/lib/fahclient/cores/cores.foldingathome.org/v7/lin/64bit/avx/Core_a7.fah/FahCore_a7 -dir 02 -suffix 01 -version 705 -lifeline 953 -checkpoint 15 -np 15
17:07:00:WU02:FS00:Started FahCore on PID 16660
17:07:00:WU02:FS00:Core PID:16670
17:07:00:WU02:FS00:FahCore 0xa7 started