[CPMD-list] compilation error on Itanium!

[Tengfei Luo]

----- Original Message ----- 
From: "Axel Kohlmeyer" <akohlmey at cmm.chem.upenn.edu>
To: "Tengfei Luo" <luotengf at msu.edu>
Cc: <cpmd-list at cpmd.org>
Sent: Sunday, November 26, 2006 5:44 PM
Subject: Re: [CPMD-list] compilation error on Itanium!


> On Fri, 24 Nov 2006, Tengfei Luo wrote:
>
> TL> Dear all:
> TL> I was trying to compile CPMD3.11 on a four processor SGI Altix 350
> TL> Itanium-based system.
> TL>
> TL> It seems that the library can not link properly.
>
> technically, this is not a CPMD issue, so it might
> be useful, if you can verify that your installation
> works on something simpler than CPMD.
> did you try to compile other codes/examples, that use
> BLAS/LAPACK? e.g., the ones shipped with MKL?
>
I used Baki's MPI makefile and the code is running now. His flags are as 
follow:

FFLAGS =  -ftz
LFLAGS = -lscs -lmpi \
             -lm -lpthread $(QMMM_LIBS)
CFLAGS = -D__alpha
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__alpha -DPOINTER8 -DLAPACK -DFFT_DEFAULT -DALPHALINUX \
        -DPARALLEL=parallel -DMP_LIBRARY=__MPI -DLINUX_IA64_INTEL  -D__BA
NOOPT_FLAG =
CC = icc
FC = ifort  -c
LD = ifort
AR = /usr/bin/ar -r

I didn't flags using MKL. Maybe I just avoid MKL and manage to build a 
binary?

> what version of ifort do you have installed?
> intel has a history of shipping not always well
> working versions of their compilers with the
> initial releases. only after a few patch releases
> later, you get a reliable compiler. so it might
> be worth checking, how up-to-date your installation is.
>
I use version 9 of Intel compiler, and MKL version is 7.2.1. Maybe the 
problem is what you have said here.

> e.g. mkl is at least at version 8.1 now, IIRC.
>
> cheers,
>   axel.
>
> TL> I cannot figure out what the problem is. Hope somebody can help me 
> out.
> TL> Thank in advance!
>
> with installation problems like this, it may be
> worth checking with your local system administrator
> on how you are supposed to use libraries and compilers.
> it may not always be correct (linux machines are very
> configurable and what works on one installation may
> fail on another), but a starting point.

Thank you, I will check with the admin to see what was the problem.
>
>
>
> TL>
> TL> T. Luo
> TL>
> TL> _______________________________________________
> TL> CPMD-list mailing list
> TL> CPMD-list at cpmd.org
> TL> http://cpmd.org/mailman/listinfo/cpmd-list
> TL>
>
> -- 
> =======================================================================
> 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.
>
>