[Pw_forum] Problem with compilation

[Pavel B. Sorokin]

Dear all,

I have a one question and one trouble, please, help me!
1) Have anybody right make.cygwin file for Espresso3.0 or executable
pw, bands, dos, projwc, plotrho, plotband files? I think that Windows
version of PWSCF is good for performing testing calculations
2)
I have tried to calculate PWSCF3.0 on IBM PowerPC under Linux.
./configure have got me following message:

==========
checking build system type... powerpc64-unknown-linux-gnu
checking architecture...
configure: WARNING: unsupported architecture
checking for f90... f90
checking for Fortran 77 compiler default output... configure: error:
Fortran 77 compiler cannot create executables
==========

Its not good message for me, because I am beginner with Linux, but I
have tried to compile PWSCF manually. I have installed FFTW2.1.5
library to directory /mydir/lib (there a five files: libfftw.(a,la);
librfftw.(a,la), fftw.h
So, at first I have tried to compile Espresso with make.alinux file.
./configure BLAS_LIBS="-lessl" LIBDIRS="/mydir/lib/" --enable-mpi

checking architecture... alinux
checking for mpif90... mpif90
checking for Fortran 77 compiler default output... a.out
checking whether the Fortran 77 compiler works... yes
checking whether we are cross compiling... yes
checking for suffix of executables...
checking for suffix of object files... o
checking whether we are using the GNU Fortran 77 compiler... no
checking whether mpif90 accepts -g... yes
checking for fort... no
checking for g95... no
checking for f90... f90
checking whether we are using the GNU Fortran 77 compiler... no
checking whether f90 accepts -g... no
setting F90... f90
setting MPIF90... mpif90
checking for mpicc... mpicc
checking whether we are using the GNU C compiler... yes
checking whether mpicc accepts -g... yes
checking for mpicc option to accept ANSI C... none needed
checking for mpif77... mpif77
checking whether we are using the GNU Fortran 77 compiler... no
checking whether mpif77 accepts -g... yes
checking for ccc... no
checking for gcc... gcc
checking whether we are using the GNU C compiler... yes
checking whether gcc accepts -g... yes
checking for gcc option to accept ANSI C... (cached) none needed
setting CC... gcc
setting MPICC... mpicc
checking for fort... no
checking for g77... g77
checking whether we are using the GNU Fortran 77 compiler... yes
checking whether g77 accepts -g... yes
setting F77... g77
setting MPIF77... mpif77
configure: WARNING: unsupported C/Fortran compilers combination <--- ???????????
setting FFLAGS... -O
setting F90FLAGS... $(FFLAGS)
....
all dependencies updated successfully
configure: creating ./config.status
config.status: creating make.sys
config.status: creating configure.msg
--------------------------------------------------------------------
ESPRESSO can take advantage of several optimized numerical libraries
(essl, fftw, mkl...).  This configure script attempts to find them,
but may fail if they have been installed in non-standard locations.

The following libraries have been found:
  BLAS_LIBS=
  LAPACK_LIBS=
  FFT_LIBS=-L/mydir/lib -lfftw  FFT_LIBS=-L/mydir/lib -lfftw
  WARNING: fftw library detected, but fftw.h not found
Please check if that is correct.

So, I think that all right with it (excluding "warning" message - why?
I don't understand - fftw.h locates in the directory mydir/lib and in
mydir/include) and I have tried to execute make command.

make pw

test -d bin || mkdir bin
if test -d iotk ; then \
( cd iotk ; if test "make" = "" ; then make  TLDEPS= libiotk.a ; \
else make  TLDEPS= libiotk.a ; fi ) ; fi
make[1]: Entering directory `/nethome/Distributives/espresso-3.0/iotk'
cd src ; make libiotk.a
make[2]: Entering directory `/nethome/Distributives/espresso-3.0/iotk/src'
cpp -P -traditional -D__ALPHA -D__LINUX64 -D__FFTW
-D__USE_INTERNAL_FFTW -D__MPI -D__PARA -I../include  iotk_base.f90 -o
iotk_base.F90
mpif90 -O -D__ALPHA -D__LINUX64 -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI
-D__PARA -I../include  -I. -I../Modules -I../PW -I../PH -I../iotk/src
-c iotk_base.F90 -o iotk_base.o
xlf90_r: 1501-216 command option -__ALPHA is not recognized - passed to ld
xlf90_r: 1501-216 command option -__LINUX64 is not recognized - passed to ld
xlf90_r: 1501-216 command option -__FFTW is not recognized - passed to ld
xlf90_r: 1501-216 command option -__USE_INTERNAL_FFTW is not
recognized - passed to ld
xlf90_r: 1501-216 command option -__MPI is not recognized - passed to ld
xlf90_r: 1501-216 command option -__PARA is not recognized - passed to ld
xlf90_r: 1501-218 file iotk_base.F90 contains an incorrect file suffix
make[2]: *** [iotk_base.o] Error 1
make[2]: Leaving directory `/nethome/Distributives/espresso-3.0/iotk/src'
make[1]: *** [libiotk.a] Error 2
make[1]: Leaving directory `/nethome/Distributives/espresso-3.0/iotk'
make: *** [libiotk] Error 2

I don't know, what I must do...

And second attempt was with make.linux64 file

make pw
test -d bin || mkdir bin
if test -d iotk ; then \
( cd iotk ; if test "make" = "" ; then make  TLDEPS= libiotk.a ; \
else make  TLDEPS= libiotk.a ; fi ) ; fi
make[1]: Entering directory `/nethome/espresso-3.0/iotk'
cd src ; make libiotk.a
make[2]: Entering directory `/nethome/espresso-3.0/iotk/src'
cpp -P -traditional -D__LINUX64 -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI
-D__PARA -I../include  iotk_base.f90 -o iotk_base.F90
mpif90 -O -D__LINUX64 -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI -D__PARA
-I../include  -I. -I../Modules -I../PW -I../PH -I../iotk/src -c
iotk_base.F90 -o iotk_base.o
xlf90_r: 1501-216 command option -__LINUX64 is not recognized - passed to ld
xlf90_r: 1501-216 command option -__FFTW is not recognized - passed to ld
xlf90_r: 1501-216 command option -__USE_INTERNAL_FFTW is not
recognized - passed to ld
xlf90_r: 1501-216 command option -__MPI is not recognized - passed to ld
xlf90_r: 1501-216 command option -__PARA is not recognized - passed to ld
xlf90_r: 1501-218 file iotk_base.F90 contains an incorrect file suffix
make[2]: *** [iotk_base.o] Error 1
make[2]: Leaving directory `/nethome/espresso-3.0/iotk/src'
make[1]: *** [libiotk.a] Error 2
make[1]: Leaving directory `/nethome/espresso-3.0/iotk'
make: *** [libiotk] Error 2

Please, help!

Sincerely yours.
Pavel B Sorokin