[Freeon-users] --enable-parallel-clones

[Jose R. Valverde]

OK, the program compiled when I removed the optimization from Ktrax, and I
am now going for the validation.

I have some trouble here: when make check it sometimes gives me an
error 
         routed:binomial: Connection to lifeline [[21421,0],0] lost

however, I am simultaneously running the checks by hand and it seems to
work OK (at least it is computing now).

Which leads me to a side question: since it is taking too long to run for 
Optimization/12-BPE (and seemingly subsequent tests), I wonder what the
appropriate invocation using MPI should be.

I guess the program needs to be run as

        mpirun -np 16 FreeON inputfile.inp

to make use of -in this case- 16 CPUs. Right?

Sorry for all the noise, I want to make some calculations on several
"big" molecules (at least they are taking weeks to compute in ORCA)
and obviously FreeON is an attractive alternative, but I'd like to
ensure I also get the maximum speedup.

                                j
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