[Pw_forum] compilation error
Bhagawan Sahu
brsahu at physics.utexas.edu
Thu May 18 17:47:50 CEST 2006
Paolo,
thanx. It could get past that. Now it gives errors in 'include' files of
fftw. I used the machine installed fftw. The version is 2.1.5.
In the make.sys,
DFLAGS = -D__LINUX -D__INTEL -D__FFTW -D__MPI -D__PARA
FDFLAGS = $(DFLAGS)
IFLAGS = -I../opt/apps/fftw/fftw-2.1.5/include -I../include
I have loaded the fftw-related environment variables. but it gives the
error:
make[1]: Entering directory `/home/utexas/ee/eefz340/espresso-3.1/clib'
icc -O3 -D__LINUX -D__INTEL -D__FFTW -D__MPI -D__PARA
-I../opt/apps/fftw/fftw-2.1.5/include -I../include -c fft_stick.c
fft_stick.c(19): catastrophic error: could not open source file "fftw.h"
# include <fftw.h>
^
compilation aborted for fft_stick.c (code 4)
make[1]: *** [fft_stick.o] Error 4
make[1]: Leaving directory `/home/utexas/ee/eefz340/espresso-3.1/clib'
make: *** [libs] Error 2
It is not able to find fftw.h from /opt/apps/fftw/fftw-2.1.5/include
I checked this path. fftw.h exist and not empty. Also in the clib
directory of espresso-3.1, fftw.h exists.
We also have fftw version 3.1.1. It's include file is fftw2.h. In order to
include this .h file, which files in clib or other directories need to be
changed so that it can identify fftw3.h instead of fftw.h
Sahu
On Thu, 18 May 2006, Paolo Giannozzi wrote:
> On Wednesday 17 May 2006 21:48, Bhagawan Sahu wrote:
>
> > I am trying to compile espresso-3.1 (release 17th May 2006)
> > on 64-bit linux (EM64T) cluster( intel9.1 compiler, mkl8.1).
> > ./configure step is successful and created the following
> > make.sys file:
>
> which uses icc as external preprocessor, and this doesn't work
> because it assumes that // is a C++ comment and cuts whatever
> follows. You should use the fortran preprocessor instead. The
> first lines of the make.sys file should look like (beware the tabs)
>
> .SUFFIXES :
> .SUFFIXES : .o .c .f .f90
> .f90.o:
> $(MPIF90) $(F90FLAGS) -c $<
> .f.o:
> $(F77) $(FFLAGS) -c $<
> .c.o:
> $(CC) $(CFLAGS) -c $<
>
> and the lines
>
> > F90FLAGS = $(FFLAGS) $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
> > F90FLAGS_NOOPT = $(FFLAGS_NOOPT) $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
>
> should be
>
> > F90FLAGS = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
> > F90FLAGS_NOOPT = $(FFLAGS_NOOPT) -nomodule -fpp $(FDFLAGS) $(IFLAGS)
> $(MODFLAGS)
>
> Paolo
>
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