AMBER Archive (2008)

Subject: RE: AMBER: Install problems

From: Marisa Frechero (frechero_at_uns.edu.ar)
Date: Mon Sep 08 2008 - 13:35:08 CDT

Hi Ross,
thanks for your answer. When I try to compile Amber with g95 it gives me
these message:

marisa_at_marisa-desktop:~/AMBER10/SIM/amber10/src$ ./configure_amber g95
Setting AMBERHOME to /home/marisa/AMBER10/SIM/amber10

Setting up Amber configuration file for architecture: g95
Using parallel communications library: none
The MKL_HOME environment variable is not defined.

Testing the C compiler:
       gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O2 -m32 -o testp
testp.c
OK

Testing the Fortran compiler:
      g95 -O0 -fno-second-underscore -o testp testp.f
./configure_amber: 1168: g95: Permission denied
./configure_amber: 1169: ./testp: not found
Unable to compile a Fortran program using g95 -O0 -fno-second-underscore
Please check your compiler settings or configure flags.
marisa_at_marisa-desktop:~/AMBER10/SIM/amber10/src$

On the other hand, I am not sure about the meaning of these sentence from
the manual :"You can examine and edit this file to match your local
environment, if necessary.(config.h)", What is necessary to do?

I am using "Ubuntu 8.04", g95 from http://www.g95.org/src.shtml g95_source.tar

Thanks,
Marisa

At 14:14 03/09/2008 -0700, you wrote:

>Hi Marisa,
>
>
>
>Please define 'problems'. Explain what you did, step by step and show what
>messages / errors were generated at each step and then we may be able to
>help you. It would also be useful to know what operating system you are
>running and which version.
>
>
>
>Ross
>
>
>
>From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
>Of Marisa Frechero
>Sent: Wednesday, September 03, 2008 11:38 AM
>To: amber_at_scripps.edu
>Subject: AMBER:
>
>
>
>Hi Ambers,
>
> > I am installing Amber10 in a PC with Intel Core2 quad.
>I really need help. I have some problems when I follow the install
>instructions.
> > Thanks in advance
>
>Marisa
>
>
>Internal Virus Database is out-of-date.
>Checked by AVG Free Edition.
>Version: 7.5.428 / Virus Database: 268.13.4/478 - Release Date: 17/10/2006
>10:45

Dra. Marisa Alejandra Frechero
CONICET-Fisicoquímica- Dpto. de Química
FAX: +54-291-459 5160
TE : +54-291-459 5100 (int. 3528)
frechero_at_uns.edu.ar
Universidad Nacional del Sur
Av. Alem 1253 - Bahía Blanca (8000) -Argentina


Internal Virus Database is out-of-date.
Checked by AVG Free Edition.
Version: 7.5.428 / Virus Database: 268.13.4/478 - Release Date: 17/10/2006 10:45

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