[Wannier] fail to compile pw2wannier90.f90

Wed Dec 10 15:46:36 CET 2014

hello,all

I am trying to install PWscf and wannier90.

First, in the "espresso-5.1.1" directory,
./configure MPIF90=mpiifort
make all

installed successfully.
Then , I copy pw2wannier90.f90 to ./PP/src
make pp

I got this:

mpiifort -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL 
-D__FFTW -D__MPI -D__PARA -D__SCALAPACK    -I../../iotk/src 
-I../../Modules -I../../PW/src -I. -c pw2wannier90.f90
pw2wannier90.f90(85): error #6580: Name in only-list does not exist.   
[MPIME]
   USE mp_global,  ONLY : mp_startup, mpime, kunit
-------------------------------------^
pw2wannier90.f90(162): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(ios,ionode_id)
-------^
pw2wannier90.f90(167): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(outdir,ionode_id)
-------^
pw2wannier90.f90(168): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(tmp_dir,ionode_id)
-------^
pw2wannier90.f90(169): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(prefix,ionode_id)
-------^
pw2wannier90.f90(170): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(seedname,ionode_id)
-------^
pw2wannier90.f90(171): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(spin_component,ionode_id)
-------^
pw2wannier90.f90(172): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(wan_mode,ionode_id)
-------^
pw2wannier90.f90(173): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(wvfn_formatted,ionode_id)
-------^
pw2wannier90.f90(174): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(write_unk,ionode_id)
-------^
pw2wannier90.f90(175): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(write_amn,ionode_id)
-------^
pw2wannier90.f90(176): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(write_mmn,ionode_id)
-------^
pw2wannier90.f90(178): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(write_uhu,ionode_id)
-------^
pw2wannier90.f90(179): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(write_uIu,ionode_id) !ivo
-------^
pw2wannier90.f90(181): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(write_spn,ionode_id)
-------^
pw2wannier90.f90(182): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(reduce_unk,ionode_id)
-------^
pw2wannier90.f90(183): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(write_unkg,ionode_id)
-------^
pw2wannier90.f90(468): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(nnb,ionode_id)
-------^
pw2wannier90.f90(469): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(kpb,ionode_id)
-------^
pw2wannier90.f90(470): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(g_kpb,ionode_id)
-------^
pw2wannier90.f90(471): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(num_bands,ionode_id)
-------^
pw2wannier90.f90(472): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(n_wannier,ionode_id)
-------^
pw2wannier90.f90(473): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(center_w,ionode_id)
-------^
pw2wannier90.f90(474): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(l_w,ionode_id)
-------^
pw2wannier90.f90(475): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(mr_w,ionode_id)
-------^
pw2wannier90.f90(476): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(r_w,ionode_id)
-------^
pw2wannier90.f90(477): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(zaxis,ionode_id)
-------^
pw2wannier90.f90(478): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(xaxis,ionode_id)
-------^
pw2wannier90.f90(479): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(alpha_w,ionode_id)
-------^
pw2wannier90.f90(480): error #6285: There is no matching specific 
subroutine for this generic subroutine call.   [MP_BCAST]
   CALL mp_bcast(exclude_bands,ionode_id)
-------^
/tmp/ifortmxcbgR.i90(565): catastrophic error: Too many errors, exiting
compilation aborted for pw2wannier90.f90 (code 1)
make[2]: *** [pw2wannier90.o] Error 1

Here is the make.sys in "espresso-5.1.1"

# make.sys.  Generated from make.sys.in by configure.

# compilation rules

.SUFFIXES :
.SUFFIXES : .o .c .f .f90

# most fortran compilers can directly preprocess c-like directives: use
#     $(MPIF90) $(F90FLAGS) -c $<
# if explicit preprocessing by the C preprocessor is needed, use:
#     $(CPP) $(CPPFLAGS) $< -o $*.F90
#    $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o
# remember the tabulator in the first column !!!

.f90.o:
     $(MPIF90) $(F90FLAGS) -c $<

# .f.o and .c.o: do not modify

.f.o:
     $(F77) $(FFLAGS) -c $<

.c.o:
     $(CC) $(CFLAGS)  -c $<

# topdir for linking espresso libs with plugins
TOPDIR = /home/liu/tools/PWscf/espresso-5.1.1

# DFLAGS  = precompilation options (possible arguments to -D and -U)
#           used by the C compiler and preprocessor
# FDFLAGS = as DFLAGS, for the f90 compiler
# See include/defs.h.README for a list of options and their meaning
# With the exception of IBM xlf, FDFLAGS = $(DFLAGS)
# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas

# MANUAL_DFLAGS  = additional precompilation option(s), if desired
#                  You may use this instead of tweaking DFLAGS and FDFLAGS
#                  BEWARE: will not work for IBM xlf! Manually edit FDFLAGS
MANUAL_DFLAGS  =
DFLAGS         =  -D__INTEL -D__FFTW -D__MPI -D__PARA -D__SCALAPACK 
$(MANUAL_DFLAGS)
FDFLAGS        = $(DFLAGS) $(MANUAL_DFLAGS)

# IFLAGS = how to locate directories where files to be included are
# In most cases, IFLAGS = -I../include

IFLAGS         = -I../include

# MOD_FLAGS = flag used by f90 compiler to locate modules
# Each Makefile defines the list of needed modules in MODFLAGS

MOD_FLAG      = -I

# Compilers: fortran-90, fortran-77, C
# If a parallel compilation is desired, MPIF90 should be a fortran-90
# compiler that produces executables for parallel execution using MPI
# (such as for instance mpif90, mpf90, mpxlf90,...);
# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)
# If you have a parallel machine but no suitable candidate for MPIF90,
# try to specify the directory containing "mpif.h" in IFLAGS
# and to specify the location of MPI libraries in MPI_LIBS

MPIF90         = mpiifort
#F90           = ifort
CC             = icc
F77            = ifort

# C preprocessor and preprocessing flags - for explicit preprocessing,
# if needed (see the compilation rules above)
# preprocessing flags must include DFLAGS and IFLAGS

CPP            = cpp
CPPFLAGS       = -P -C -traditional $(DFLAGS) $(IFLAGS)

# compiler flags: C, F90, F77
# C flags must include DFLAGS and IFLAGS
# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate 
syntax

CFLAGS         = -O3 $(DFLAGS) $(IFLAGS)
F90FLAGS       = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
FFLAGS         = -O2 -assume byterecl -g -traceback

# compiler flags without optimization for fortran-77
# the latter is NEEDED to properly compile dlamch.f, used by lapack

FFLAGS_NOOPT   = -O0 -assume byterecl -g -traceback

# compiler flag needed by some compilers when the main is not fortran
# Currently used for Yambo

FFLAGS_NOMAIN   = -nofor_main

# Linker, linker-specific flags (if any)
# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty

LD             = mpiifort
LDFLAGS        = -static-intel
LD_LIBS        =

# External Libraries (if any) : blas, lapack, fft, MPI

# If you have nothing better, use the local copy :
# BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a
# BLAS_LIBS_SWITCH = internal

BLAS_LIBS      =   -lmkl_intel_lp64  -lmkl_sequential -lmkl_core
BLAS_LIBS_SWITCH = external

# If you have nothing better, use the local copy :
# LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a
# LAPACK_LIBS_SWITCH = internal
# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack !
# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order

LAPACK_LIBS    =
LAPACK_LIBS_SWITCH = external

ELPA_LIBS_SWITCH = disabled
SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64

# nothing needed here if the the internal copy of FFTW is compiled
# (needs -D__FFTW in DFLAGS)

FFT_LIBS       =

# For parallel execution, the correct path to MPI libraries must
# be specified in MPI_LIBS (except for IBM if you use mpxlf)

MPI_LIBS       =

# IBM-specific: MASS libraries, if available and if -D__MASS is defined 
in FDFLAGS

MASS_LIBS      =

# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv

AR             = ar
ARFLAGS        = ruv

# ranlib command. If ranlib is not needed (it isn't in most cases) use
# RANLIB = echo

RANLIB         = ranlib

# all internal and external libraries - do not modify

FLIB_TARGETS   = all

LIBOBJS        = ../flib/ptools.a ../flib/flib.a ../clib/clib.a 
../iotk/src/libiotk.a
LIBS           = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) 
$(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS)

# wget or curl - useful to download from network
WGET = wget -O

# Install directory
PREFIX = $(INSTALLDIR)

It would be very kind of you to help me fix it.

A beginner : Jian