AMBER Archive (2008)

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

From: saurabh agrawal (imsam100_at_yahoo.co.in)
Date: Wed Sep 03 2008 - 09:55:31 CDT

Hi,

I have added the path for MPI_HOME and after doing that I got another error as follows:

_________________________________________________________________________
[saurabh_at_mg01 src]$ make parallel
Starting installation of Amber9 (parallel) at Wed Sep  3 15:27:31 IST 2008.
cd sander; make parallel
make[1]: Entering directory `/gpfs/home/saurabh/amber9/src/sander'
../checkparconf
cpp -traditional -I/opt/openmpi/1.2.6/intel_10.1/tcp/64/bin/include -P -DMPI  evb_init.f > _evb_init.f
ifort -c -w95   -mp1 -O0 -FR  -o evb_init.o _evb_init.f
fortcom: Error: _evb_init.f, line 171: Cannot open include file 'mpif-common.h'
      include 'mpif-common.h'
--------------^
fortcom: Error: _evb_init.f, line 321: This name does not have a type, and must have an explicit type.   [MPI_INTEGER]
   call mpi_bcast ( ndim, 1, MPI_INTEGER, 0, commworld, ierr )
-----------------------------^
fortcom: Error: _evb_init.f, line 361: This name does not have a type, and must have an explicit type.   [MPI_DOUBLE_PRECISION]
         call mpi_bcast ( xdat_dia(n)% q, ndim, MPI_DOUBLE_PRECISION, 0, commworld, ierr )
------------------------------------------------^
fortcom: Error: _evb_init.f, line 366: This name does not have a type, and must have an explicit type.   [MPI_CHARACTER]
         call mpi_bcast ( xdat_dia(n)% filename, 512, MPI_CHARACTER, 0, commworld, ierr )
------------------------------------------------------^
compilation aborted for _evb_init.f (code 1)
make[1]: *** [evb_init.o] Error 1
make[1]: Leaving directory `/gpfs/home/saurabh/amber9/src/sander'
make: *** [parallel] Error 2
________________________________________________________________________

Please help me solving this it. Thanking you in advance.

Regards,

Saurabh

--- On Tue, 2/9/08, Vlad Cojocaru <Vlad.Cojocaru_at_eml-r.villa-bosch.de> wrote:
From: Vlad Cojocaru <Vlad.Cojocaru_at_eml-r.villa-bosch.de>
Subject: Re: AMBER: AMBER9 installation problen with open mpi
To: amber_at_scripps.edu
Date: Tuesday, 2 September, 2008, 5:30 PM

  
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 

-- 
----------------------------------------------------------------------------
Dr. Vlad Cojocaru

EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg

Tel: ++49-6221-533266
Fax: ++49-6221-533298

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

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

----------------------------------------------------------------------------
EML Research gGmbH
Amtgericht Mannheim / HRB 337446
Managing Partner: Dr. h.c. Klaus Tschira
Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter
http://www.eml-r.org
----------------------------------------------------------------------------

 

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu