AMBER Archive (2008)

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

From: sudipta sinha (sudipta.mml_at_gmail.com)
Date: Fri May 02 2008 - 02:39:09 CDT

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
 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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