AMBER Archive (2008)

Subject: Re: AMBER: Installation problem of AMBER on cluster

From: Bertrand P. S. Russell (betrussell23_at_gmail.com)
Date: Fri May 02 2008 - 05:11:15 CDT

2008/5/2 sudipta sinha <sudipta.mml_at_gmail.com>:

> Dear sir,
>
> can you please help me about the compilation procedure of
> mpich2. We have installed our mpich2 by the following commands.
> cd /usr/local/
> tar -zxvf mpich2-1.0.7.tar.gz
> cd mpich2-1.0.7
> ./configure

>> CC=g95 CFLAGS=-O2 LIBS=-lposix ./configure

You can try this command. If you you want you can change the optimization
level.

>
> make
> make install
> Our operating system is RHEL4 and I think the default c and fortran
> compiler in RHEL4 are used during the compilation. Here we didn't set g95
> compiler for the compilation of mpich2. So, please guide me how to install
> mpich2 with g95 and gcc (default c compiler in RHEL4) compiler.
>
> sudipta
>
>
> On Fri, May 2, 2008 at 12:25 AM, David A. Case <case_at_scripps.edu> wrote:
>
> > On Thu, May 01, 2008, sudipta sinha wrote:
> > >
> > > make clean
> > >
> > make: *** [clean] Error 2
> >
> > So, "make clean" did not work, because there is no config.h file.
> > >
> > > ./configure -mpich2 g95
> >
> > This step creates the config.h file. So, you need to do "make clean"
> > now,
> > (i.e. after the configure step).
> > >
> > > MPI_HOME is set to /usr/local/
> >
> > This implies that the mpich2 libraries (like libmpichf90.*) are in
> > /usr/local/lib. Make sure that is the case.
> >
> > > evb_init.o(.data+0x460): undefined reference to
> > `mpi_conversion_fn_null_'
> >
> > It seems to have found the libraries. The most common problem here is
> > that
> > the mpich2 libraries were compiled with a different fortran compiler
> > than g95.
> > Is that the case?
> >
> > ...good luck...dac
> >
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>
> 

-- 
Life is not about getting somewhere in a hurry, but enjoying the journey to
the full.
Bertrand. P. S. Russell
Nanyang Drive,
Singapore.

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