On Thu, Apr 26, 2018, Stephan Schott wrote:
>
> Regarding your parallel compilation, you should give us more info regarding
> what mpi compiler you used. Also, if your binaries are in the
> "to_be_dispatched" folder and not just in bin, I would suspect your
> installation went wrong somewhere. Did the installation finish successfully?
There *are* supposed to be a number of executatbles in this directory:
godel% ls to_be_dispatched
am1bcc bondtype parmchk2 residuegen
antechamber espgen prepgen respgen
atomtype nab reduce
> > ../to-be-dispatched/bin/sqm -O -i sqm.in -o sum.out
> > Could not be executed..
I think we have to know exactly what command you gave here. Are you
perhaps trying to run antechamber directly from the "to_be_dispatched"
directory? (Don't do that...always use $AMBERHOME/bin/antechamber.)
..dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 26 2018 - 11:30:03 PDT
