Re: AMBER: Installation problem of AMBER on cluster

From: sudipta sinha <sudipta.mml.gmail.com>
Date: Fri, 2 May 2008 23:59:37 +0530

Hi Ross,

          Still I am getting some error during compilation of MPICH2. Here
the issue is coming from c compiler. Now I clearly tell you what I have
done.
In .bashrc file we put the commands

export FC=g95

export F90=g95

export LDFLAGS=-all-static

export FFLAGS=-static

export CFLAGS=-static

export CXXFLAGS=-static

export CXXLDFLAGS=-static

and then compiled it by $source .bashrc

Then I untar the file mpich2-1.0.7.tar.gz in /usr/local and also make a
directory mpich2-1.0.7-g95 in /usr/local. Then I have typed the command

$./configure –prefix=/usr/local/mpich2-1.0.7-g95

But it is giving some errors

ERRORS:==================================================
Configuring MPICH2 version 1.0.7 with
'--prefix=/usr/local/mpich2-1.0.7-g95/' 'CFLAGS=-static' 'CXXFLAGS=-static'
'F90=g95' 'FFLAGS=-static' 'LDFLAGS=-all-static'
Running on system: Linux node3 2.6.9-67.ELsmp #1 SMP Wed Nov 7 13:56:44 EST
2007 x86_64 x86_64 x86_64 GNU/Linux
Executing mpich2prereq in /usr/local/mpich2-1.0.7/src/mpid/ch3 with
Executing mpich2prereq in /usr/local/mpich2-1.0.7/src/mpid/ch3/channels/sock
sourcing /usr/local/mpich2-1.0.7/src/pm/mpd/mpich2prereq
sourcing /usr/local/mpich2-1.0.7/src/pm/mpd/setup_pm
checking for gcc... gcc
checking for C compiler default output file name... configure: error: C
compiler cannot create executables
See `config.log' for more details.

=================================================================================

I am also attaching the config.log file. Please see and tell me what is my
wrong.

Thanks and regards
sudipta

On Fri, May 2, 2008 at 9:11 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Sudipta,
>
>
>
> You should do the following if I remember correctly (assuming you are
> using the BASH shell):
>
>
>
> cd /usr/local
>
> tar –xvzf mpich2-1.0.7.tar.gz
>
> cd mpich2-1.0.7
>
> export FC=g95
>
> export F90=g95
>
> export LDFLAGS=-all-static
>
> export FFLAGS=-static
>
> export CFLAGS=-static
>
> export CXXFLAGS=-static
>
> export CXXLDFLAGS=-static
>
>
>
> (note: you may not need the last 5 options, or they may not work, but it
> is useful to try since if you can build a static version it will help you
> later since you will not need to worry about setting all the library paths
> on each node etc.)
>
>
>
> ./configure –prefix=/usr/local/mpich2-1.0.7-g95
>
>
>
> make
>
> make install
>
>
>
> (Then you can build the parallel version of AMBER – for amber 9)
>
>
>
> export MPI_HOME=/usr/local/mpich2-1.0.7-g95/
>
> export PATH=/usr/local/mpich2-1.0.7-g95/bin/
>
>
>
> (note: the two commands above should probably be put in the default bashrc
> so they get set every time you login.)
>
>
>
> cd $AMBERHOME/src/
>
> ./configure –static –mpich2 g95
>
> make clean
>
> make parallel
>
>
>
> Then you can run the parallel tests etc.
>
>
>
> Good luck,
>
> Ross
>
>
>
>
>
> *From:* owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] *On
> Behalf Of *sudipta sinha
> *Sent:* Friday, May 02, 2008 12:39 AM
> *To:* amber.scripps.edu
> *Subject:* Re: AMBER: Installation problem of AMBER on cluster
>
>
>
> 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.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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>
>


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Received on Sun May 04 2008 - 06:07:43 PDT
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