Miro Moman
edelmiro.moman@gmail.com
I am trying to run the MPICH2-Linux version of Firefly (firefly_71g_linux_mpich2_p4) in a local machine with two quad-core Nehalem processors. I have started the mpd daemon as per the MPICH website instructions.
This is the command line I am using:
/home/mirix/Downloads/firefly/firefly_71g_linux_mpich2_p4/firefly -i complex.inp -o output.out /disk/scratch/pcgamess /tmp/pcgamess -p4pg /home/mirix/Downloads/firefly/combo/procgrp
The input file is the example from Combo (optimization of the final complex).
As for the procgrp file I have tried:
local 7 and aeolus 7 /home/mirix/Downloads/firefly/firefly_71g_linux_mpich2_p4/firefly
Firefly correctly detects 8 cores and 16 threads but it only uses one processor.
Best regards,
Miro