[Octopus-users] error for periodic

[moshiour]

Dear Axel,
Thanks for your specific location for rpm. It is installed properly, but i am
facing two problems 1. for periodic system, its shows the following error
**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* Real wavefunction for ground state not yet implemented for polymers:
* Reconfigure with --enable-complex, and remake
*--------------------------------------------------------------------
* Stack:
**********************************************************************
And 2. dx file is not executing, it is showing some error for connecting.

regards



Moshiour
Bose-TWAS Fellow
S.N.Bose Center,India
--
Open WebMail Project (http://openwebmail.org)


---------- Original Message -----------
From: Axel Thimm <Axel.Thimm at physik.fu-berlin.de>
To: moshiour <moshiour at bose.res.in>
Cc: octopus-users at tddft.org
Sent: Mon, 3 Jul 2006 06:45:17 +0200
Subject: Re: Problem for Inst.

> On Fri, Jun 30, 2006 at 08:42:27PM +0630, moshiour wrote:
> > **********************************************************************
> > checking for sgemm in /nfs3/moshiour/lib/blas_LINUX.a... no
> > checking for sgemm... no
> > checking for ATL_xerbla in -latlas... no
> > checking for sgemm in -lmkl_ia32... no
> > checking for sgemm in -lmkl_def... no
> > checking for sgemm in -lblas... no
> > checking for sgemm in -lblas... no
> > checking for sgemm in -lmkl... no
> > checking for sgemm in -lcxml... no
> > checking for sgemm in -ldxml... no
> > checking for sgemm in -lscs... no
> > checking for sgemm in -lcomplib.sgimath... no
> > checking for sgemm in -lblas... no
> > checking for sgemm in -lblas... no
> > configure: error: could not find required blas library
> 
> On Mon, Jul 03, 2006 at 10:44:58AM +0630, moshiour wrote:
> > Dear Axel,
> > Fine. I am using GNU/Linux(Fedora-5).
> 
> OK, then we know what packages to pull it. The error above means you
> need to install blas. For example
> 
> yum install blas
> 
> > In the following all inputs and outputs:
> > *********************************************************************
> > [root at snbpc18 allpakages]# rpm -ivh octopus-2.0.1-1.src.rpm
> >    1:octopus                warning: user appel does not exist - using root
> > warning: group ag-gross does not exist - using root
> > ########################################### [100%]
> > warning: user appel does not exist - using root
> > warning: group ag-gross does not exist - using root
> > [root at snbpc18 allpakages]# rpm -q octopus
> > package octopus is not installed
> 
> What you are installing is not the package, but its sources. E.g. now
> you have octopus' sources under /usr/src/redhat. What you really want
> to install is the binary, assuming 32 bit arch it would be
> 
>
http://www.tddft.org/programs/octopus/down.php?file=2.0.1/i386/stable/octopus-2.0.1-1.i386.rpm
> 
> If you are on x86_64 try
> 
>
http://www.tddft.org/programs/octopus/down.php?file=2.0.1/x86_64/stable/octopus-2.0.1-1.x86_64.rpm
> 
> -- 
> Axel.Thimm at physik.fu-berlin.de
------- End of Original Message -------