AMBER Archive (2007)

Subject: Re: AMBER: RESP_compilation

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Mon Jul 16 2007 - 17:55:20 CDT

Quoting Karol Kaszuba <karol.kaszuba_at_uwm.edu.pl>:

> I am trying to compile and install RESP to use together with RED-III.
> 1) I created MACHINE directory: plep/src/MACHINE
> I moved Machine.linux_g77 to MACHINE (I am using Fedora 6, 32 bit PC)
> I cd to scr/resp directory.
> I wrote: make.
> I noticed the following error message:
> ../Compile L1 -P resp.f
> L1: Undefined variable.
> make: *** [resp.o] Error 1
>
> Could anybody explain me what I am doing wrong and how to omit
> this problem.

It works for me under FC 4.0 32 bits. I got similar error under FC 6.0
64 bits...

- Did you try to find/install some compat-gcc-??-g77 packages for your
FC 6.0 32 bits ?
            or
- g77 is replaced by gfortran in FC 6.0. I replaced g77 by gfortran in
the MACHINE file (not directory) removing some options (when they
generate errors because my machine is 64 bits). make clean; make and
got a resp binary:

[fyd_at_labo2 resp]$ ./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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