On Thu, Apr 26, 2018 at 2:24 PM, David A Case <david.case.rutgers.edu>
wrote:
> 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
>
>
I want to extend Dave' comment: I made the poor folder name "to-be-dispatched"
to store binary that requires setting AMBERHOME to run.
There is corresponding wrapper script in $AMBERHOME/bin.
Hai
> > > ../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
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 26 2018 - 12:30:03 PDT
