AMBER Archive (2008)

Subject: Re: AMBER: AMBER9 installation problen with open mpi

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Tue Sep 02 2008 - 07:00:33 CDT

Did you set the MPI_HOME variable to point to your installation of openmpi ?

export MPI_HOME=/[path]/[to]/[mpi] (for bash shell)

Also make sure that your mpif90 compiler is in your path

export PATH=$MPI_HOME/bin:$PATH (for bash shell)

vlad

saurabh agrawal wrote:
> Dear Amber Users,
>
> I am trying to install AMBER9 on IBM cluster using openmpi. I am
> getting the following error during installation:
> --------------------------------------------------------------------------------------------------------------------------
> Starting installation of Amber9 (parallel) at Tue Sep 2 12:24:05 IST
> 2008.
> cd sander; make parallel
> make[1]: Entering directory `/gpfs/home/saurabh/amber9/src/sander'
> ../checkparconf
> cpp -traditional -I/opt/openmpi//include -P -DMPI evb_init.f >
> _evb_init.f
> evb_init.f:18: error: mpif.h: No such file or directory
> make[1]: *** [evb_init.o] Error 1
> make[1]: Leaving directory `/gpfs/home/saurabh/amber9/src/sander'
> make: *** [parallel] Error 2
>
> ----------------------------------------------------------------------------------------------------------------------
> I appreciate if some one help me in this regard.
>
> Saurabh
>
>
> ------------------------------------------------------------------------
> Unlimited freedom, unlimited storage. Get it now
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-- 
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Dr. Vlad Cojocaru

EML Research gGmbH
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Fax: ++49-6221-533298

e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de

http://projects.villa-bosch.de/mcm/people/cojocaru/

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