[Pw_forum] OpenMPI on mac

2008-05-26 Thread Eduardo Ariel Menendez Proupin
Hi,
I am new with Macs. I am learning to compile in it. Frankly, I have been
happy after installing fink, so I am still Linux minded. I installed g95,
and with it I could compile QE serially. The problem is to use mpif90. There
is an mpif90 that comes with Xcode version 3, but it is not configured. When
I run it I have this message.

Macintosh:Developer eariel$ mpif90
--
Unfortunately, this installation of Open MPI was not compiled with
Fortran 90 support.  As such, the mpif90 compiler is non-functional.

Obviously I would have to configure it, but I do not find any file named
configure. Is there an option to reconfigure it within Xcode, without
downloading OpenMPI independently of Xcode?

Other question, is there a gfortran in Xcode? How to install it?
Thanks

-- 
Eduardo Menendez
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[Pw_forum] OpenMPI on mac

2008-05-26 Thread Axel Kohlmeyer
On Mon, 26 May 2008, Eduardo Ariel Menendez Proupin wrote:

EAMP> Hi,

EAMP> I am new with Macs. I am learning to compile in it. Frankly, I have been
EAMP> happy after installing fink, so I am still Linux minded. I installed g95,
EAMP> and with it I could compile QE serially. The problem is to use mpif90. 
There
EAMP> is an mpif90 that comes with Xcode version 3, but it is not configured. 
When
EAMP> I run it I have this message.

this is a _very_ mac specific question. have you considered
asking at a mac forum?

axel.

EAMP> 
EAMP> Macintosh:Developer eariel$ mpif90
EAMP> --
EAMP> Unfortunately, this installation of Open MPI was not compiled with
EAMP> Fortran 90 support.  As such, the mpif90 compiler is non-functional.
EAMP> 
EAMP> Obviously I would have to configure it, but I do not find any file named
EAMP> configure. Is there an option to reconfigure it within Xcode, without
EAMP> downloading OpenMPI independently of Xcode?
EAMP> 
EAMP> Other question, is there a gfortran in Xcode? How to install it?
EAMP> Thanks
EAMP> 
EAMP> 

-- 
===
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
===
If you make something idiot-proof, the universe creates a better idiot.


[Pw_forum] OpenMPI on mac

2008-05-26 Thread Paolo Giannozzi
Eduardo Ariel Menendez Proupin wrote:

> I am new with Macs. [...] Is there an option to reconfigure it within 
> Xcode, without downloading OpenMPI independently of Xcode?

you may have better luck if you download and compile openmpi:
it is relatively easy

> Other question, is there a gfortran in Xcode? How to install it?

I used  binaries here: http://gcc.gnu.org/wiki/GFortranBinaries .
Only very recent versions of gfortran work for q-e

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


[Pw_forum] OpenMPI on mac

2008-04-22 Thread Riccardo Sabatini
Hi everyone,

 i'm starting in these days to setup a little cluster (well, just  
two intel mac dual
core, osx 10.5.2) to learn how parallel processing works. I'm working  
with the espresso
version 4.0 and i have Intel Fortran compiler (v10) and gcc from the  
developers tools
(xcode 2.5, gcc 4.01) on both the machines.

 I downloaded and compiled OpenMPI and i'm pretty sure it works  
fine on both computer
(i tried with a very simple program from the openmpi website). Now i  
tried to compile QE
with all the wrappers (mpif90, mpicc, mpicxx, mpif77) in the make.sys,  
at least that's
what the openmpi suggests to do in their FAQ. The compilation runs  
perfectly but when i
try to run a simple simulation the programs fails with this error message

*** An error occurred in MPI_Comm_f2c
*** before MPI was initialized
*** MPI_ERRORS_ARE_FATAL (goodbye)
[rikis-macbook.local:56606] Abort before MPI_INIT completed  
successfully; not able to
guarantee that all other processes were killed!

 The command i use is

 mpirun -np 2 $PWROOT/bin/pw.x < si.scf.in

 and i run it on just one mac (my laptop). To be precise i can see  
two times the
error, as if both the processes break for the same problem. I  
understood the problem is
the fortran-c handler but i really have no idea how to fix this. I  
haven't worked yet on
the real cluster but i think if it's not working with the dual core  
alone no hope with
the rest

 Waiting for your news, thanks a lot for the help. Kind regards,

 Riccardo


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[Pw_forum] OpenMPI on mac

2008-04-22 Thread Yaser Rehem
Ricardo-

I don't have experience with your configuration, however, I can tell  
you that openmpi 1.2.4 installed via macports worked fine when I  
compiled 4.0 with g95 on my Mac.

If all else fails you can try that configuration.

Cheers,

-Yaser Rehem
Rehem Research & Consulting

On Apr 22, 2008, at 6:18 AM, Riccardo Sabatini wrote:

> Hi everyone,
>
> i'm starting in these days to setup a little cluster (well, just
> two intel mac dual
> core, osx 10.5.2) to learn how parallel processing works. I'm working
> with the espresso
> version 4.0 and i have Intel Fortran compiler (v10) and gcc from the
> developers tools
> (xcode 2.5, gcc 4.01) on both the machines.
>
> I downloaded and compiled OpenMPI and i'm pretty sure it works
> fine on both computer
> (i tried with a very simple program from the openmpi website). Now i
> tried to compile QE
> with all the wrappers (mpif90, mpicc, mpicxx, mpif77) in the make.sys,
> at least that's
> what the openmpi suggests to do in their FAQ. The compilation runs
> perfectly but when i
> try to run a simple simulation the programs fails with this error  
> message
>
> *** An error occurred in MPI_Comm_f2c
> *** before MPI was initialized
> *** MPI_ERRORS_ARE_FATAL (goodbye)
> [rikis-macbook.local:56606] Abort before MPI_INIT completed
> successfully; not able to
> guarantee that all other processes were killed!
>
> The command i use is
>
> mpirun -np 2 $PWROOT/bin/pw.x < si.scf.in
>
> and i run it on just one mac (my laptop). To be precise i can see
> two times the
> error, as if both the processes break for the same problem. I
> understood the problem is
> the fortran-c handler but i really have no idea how to fix this. I
> haven't worked yet on
> the real cluster but i think if it's not working with the dual core
> alone no hope with
> the rest
>
> Waiting for your news, thanks a lot for the help. Kind regards,
>
> Riccardo
>
> 
>   SISSA Webmail https://webmail.sissa.it/
>   Powered by Horde http://www.horde.org/
>
>
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