[Pw_forum] compiling problems of espresso-2.1.3 on IBM-rs6000???

[Liu Lei]

Dear Eyvaz and all,

Yes, but essl is supposed to have all the math lib functions.
LIBS="-lessl  -L/usr/lib -llapack" does not work on our machine, as
there is no liblapack.a file in the folder.

Is there any way to solve this problem?

Thanks and best regards,

LIU, LEI




-----Original Message-----
From: pw_forum-admin at pwscf.org [mailto:pw_forum-admin at pwscf.org] On
Behalf Of Eyvaz Isaev
Sent: Thursday, May 05, 2005 7:38 PM
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] compiling problems of espresso-2.1.3 on
IBM-rs6000???

Hi Liu,

It is a famous problem, and explained by Paolo why it
happens. So, if you use LAPACK library ftom IBM, then
put first -llapack flag. If you use
MYLIB=blas_and_lapack then put $(LIBOBJS) before
$(LIBS).

I would like also say thanks to the Espresso team who
managed to get a working Configure on IBM SP
computers.
 
Best regards,
Eyvaz.

--- Liu Lei <phyliul at nus.edu.sg> wrote:
> Dear all, 
> 
>  
> 
> I try to compile espresso-2.1.3 on IBM-rs6000, using
> "./configure
> --disable-parallel"
> 
>  
> 
>  
> 
> And then I try example07.
> 
> The scf and nscf with pw.x is ok, but ph.x refused
> to work.
> 
> Here is error message of al.ph.out
> 
> "
> 
> bash-2.05a$ more al.ph.out
> 
>  
> 
>      Program PHONON    v.2.1.3  starts ...
> 
>      Today is  5May2005 at 16:11:29
> 
>  
> 
>      Ultrasoft (Vanderbilt) Pseudopotentials
> 
>  
> 
>      Reading file al.save ...
> 
>      read complete
> 
>  
> 
>      Reading file al.save ...
> 
>      read complete
> 
>  
> 
>      nbndx  =     6  nbnd   =     6  natomwfc =    
> 9  npwx   =     125
> 
>      nelec  =    3.00 nkb   =     4  ngl    =     
> 33
> 
>  ** ON ENTRY TO ZHPEV  PARAMETER NUMBER  1 HAD AN
> ILLEGAL VALUE
> 
> "
> 
> Does anyone know what happened here, and help me
> kindly?
> 
>  
> 
>  
> 
> Regards,
> 
>  
> 
> LIU, LEI
> 
>  
> 
>  
> 
> 


		
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