[gpaw-users] GPAW installation issue

[Marcin Dulak]

Hi,

you need to perform a custom installation 
https://wiki.fysik.dtu.dk/gpaw/install/installationguide.html#install-custom-installation
and provide a suitable customize.py, see for example 
https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/doc/install/Linux/Niflheim/el5-xeon-gcc43-acml-4.3.0.py

Best regards,

Marcin

Hasker, J. wrote:
> Hello,
>
> How to compile GPAW with acml instead of netlib blas/lapack?
>
> Thanks in advance,
>
> Jan Hasker
>
> -----Oorspronkelijk bericht-----
> Van: Marcin Dulak [mailto:Marcin.Dulak at fysik.dtu.dk] 
> Verzonden: woensdag 13 april 2011 14:30
> Aan: Eldhose Iype
> CC: gpaw-users at listserv.fysik.dtu.dk; Hasker, J.
> Onderwerp: Re: [gpaw-users] GPAW installation issue
>
> Hi,
>
> as root, you need to install the following:
> yum install blas-devel lapack-devel
> Note that gpaw built with netlib blas/lapack will not be very efficient, i would suggest trying later http://developer.amd.com/cpu/Libraries/acml/Pages/default.aspx.
>
> The package python-matplotlib is also nice to have (and this will also install the necessary numpy).
> They are available for SL6, maybe also for SL5, SL4 (if not search on http://fedoraproject.org/wiki/EPEL).
> By the way, gpaw (and other packages) can be installed as RPMS on EL5 as described at https://wiki.fysik.dtu.dk/gpaw/install/Linux/CentOS.html#centos
>
> Best regards,
>
> Marcin
>
> Eldhose Iype wrote:
>   
>> Hi,
>>
>> We are trying to install GPAW in a cluster and we encountered this 
>> problem.
>> The cluster is running on Scientific Linux
>>
>> /usr/bin/ld: cannot find -lblas
>> Collect2: ld returned 1 exit status
>> Error: command 'gcc' failed with exit status 1
>>
>> Can somebody help us with this?
>>
>> Many thanks in advance
>> Eldhose
>>
>>
>>
>>
>>
>> ----------------------------------------------------------------------
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>>
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>>     
>
> --
> ***********************************
>  
> Marcin Dulak
> Technical University of Denmark
> Department of Physics
> Building 307, Room 229
> DK-2800 Kongens Lyngby
> Denmark
> Tel.: (+45) 4525 3157
> Fax.: (+45) 4593 2399
> email: Marcin.Dulak at fysik.dtu.dk
>
> ***********************************
>
>
>   

-- 
***********************************
 
Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

***********************************