Re: [AMBER] installing RESP

From: shomesankar bhunia <rightclickatrighttime.gmail.com>
Date: Fri, 7 Sep 2012 08:45:29 -0400

Dear Francois,
Thanks for the help. I have ubuntu 10.04 installed in my system. I
installed RESP in ubuntu 11.04, it worked fine there. thanks again.


On Fri, Sep 7, 2012 at 7:49 AM, FyD <fyd.q4md-forcefieldtools.org> wrote:

> Shomesankar Bhunia,
>
> > i have installed the standalone version of RESP-2.2 in ubuntu linux. But
> i
> > am facing problem while operating it. i am typing *resp* in the terminal
> > that produces a output.killed. What is the problem? please help.
> >
> > ubuntu:~> cd resp-2.2
>
> -> you need to compile
>
> > ubuntu:~/resp-2.2> resp
> > Killed
>
> I tested resp-2.2 from http://q4md-forcefieldtools.org/RED/resp/ under
> Fedora 14 64 bits (my laptop): no problem.
>
> I just tested on Ubuntu LTS 12.04 64 bits on another machine in the
> lab: no problem.
>
> I do:
> cd resp-2.2
>
> ~/resp-2.2> which gfortran
> /usr/bin/gfortran
>
> ~/resp-2.2> more Makefile
>
> # Fortran compiler: gfortran, g77, ifort, pgf77...
> FC = gfortran
> FLAGS =
>
> OBJS= resp.o
> SRCS= resp.f
>
> resp: $(OBJS)
> $(FC) $(FLAGS) $(OBJS) -o resp
>
> clean:
> rm -rf $(OBJS) resp
>
> ~/resp-2.2> make
> gfortran -c -o resp.o resp.f
> gfortran resp.o -o resp
>
> ~/resp-2.2> ./resp
>
> usage: resp [-O] -i input -o output -p punch -q qin -t qout -e
> espot -w qwts -s esout
>
> regards, Francois
>
>
>
>
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Received on Fri Sep 07 2012 - 06:00:03 PDT
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