[CPMD-list] Re: help please

[JOSE LUIS RICARDO-CHAVEZ]

Hi Carlos,

If you want link against the ATLAS library the correct specification is:

LFLAGS = -llapack -lf77blas -latlas

There are two comments concerning this option:

i) Both ATLAS and LAPACK must be compiled with IFC.
ii) The installation of LAPACK is tricky, ATLAS provides more efficient
versions of some LAPACK routines, the original LAPACK routines must be
replaced by their equivalent versions contained in the ATLAS library. To
know an easy way to do this please consult the ATLAS installation manual.

Regards,

 - José Luis

Pinilla Castellanos Carlos wrote:

>hello
>
>thanks for your help. Using the PC-IFC configuration have the compiler
>message error:
>*******************************************************************
>/opt/intel/compiler60/ia32/lib/liblapack.so: undefined reference to
>`e_wsfe'
>/opt/intel/compiler60/ia32/lib/liblapack.so: undefined reference to
>`do_fio'
>/opt/intel/compiler60/ia32/lib/liblapack.so: undefined reference to 
>`s_wsfe'
>********************************************************************
>my Makefile configuration is:
>********************************************************************
>--------------- Default Configuration for PC-IFC ---------------
>SRC  = .
>DEST = .
>BIN  = .
>#QMMM_FLAGS = -D__QMECHCOUPL
>#QMMM_LIBS  = -L. -lmm
>FFLAGS = -c -r8 -w90 -w95 -O3 -pc64 -axM -ip -tpp7
>#LFLAGS = -llapack-ifc -lf77blas-ifc -latlas-ifc -Vaxlib -lg2c
>$(QMMM_LIBS)
>LFLAGS = -llapack -lblas -Vaxlib -lguide -lpthread -L/ATLAS/latlas
>$(QMMM_LIBS)
>CFLAGS = -c -O2 -Wall
>CPP = /lib/cpp -P -C -traditional
>CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC
>NOOPT_FLAG =
>CC = gcc
>FC = ifc
>LD = ifc
>AR =
>********************************************************************
>im very novice in CPMD and managger of libraries. What changes is
>necessary in the makefile. please help me
>  
>greatings
>
>Carlos Pinilla
>
>
>  
>


-- 
José Luis RICARDO-CHAVEZ               Tel. +33-5-61-55-68-33 
Laboratoire de Physique Quantique      Fax  +33-5-61-55-60-65
Université Paul Sabatier                      
118 route de Narbonne
F-31062 Toulouse, France

e-mail: ricardo at irsamc.ups-tlse.fr