[CPMD-list] hello

[JOSE LUIS RICARDO-CHAVEZ]

Hello,

to my knowledge you don't need to include libg2c in order to compile CPMD
unless it is required by the support libraries (e.g., you need to 
include g2c if
you have compiled the LAPACK interface routines of the ATLAS library with
g77). To avoid these dependences it is recommended to compile the interface
routines with ifc.

 - José Luis RICARDO CHAVEZ

Pinilla Castellanos Carlos wrote:

>Hello, 
>
>I compiled the CPMD 3.7 on Intel Xeon System running RetHat 7.0 using the
>Intel Fortran Compiler (IFC). The configuration of Makefile script 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 -lf77blas -latlas $(QMMM_LIBS) -lg2c
>CFLAGS = -c -O2 -Wall
>CPP = /lib/cpp -P -C -traditional
>CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC
>NOOPT_FLAG =
>CC = gcc -O 
>FC = ifc -c -O -w
>LD = ifc -O -w 
>AR = ifc -O -w $(LFLAGS)
>****************************************************************************** 
>
>I had a problem with library g2c, becouse files s_stop.o and pow_dd.o are
>included twice. The problem is solved with command 
>
>                 ar -x libg2c.a 
>
>ar -x extracting the files into g2f, soon
>			
>		rm s_stop.o, rm pow_dd.o	
>and 
>
>		ar -r ./libg2c.a *.o	
>
>-r put the new files in g2c.a
>
>Thanks Eyvaz, Jose Luis and CPMD org, for your help.
>
>
>sincerely 
>
>Carlos Pinilla
>Condensed Physics Matter Group
>National University of Colombia
>
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>CPMD-list at cpmd.org
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>
>  
>


-- 
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