[Pw_forum] Problem on compiling pwscf

JAY jameslipd at gmail.com
Tue Oct 20 16:02:04 CEST 2009


Dear All

I tried to compile pwscf-4.1.1 on my FC10. mpi-1.2.7, fc=pgf90, cc=pgcc,
lapack-3.2.1(blas), fftw-3.2.2,

When i type in make all, the problem is:
if test -d iotk ; then \
    ( cd iotk ; if test "make" = "" ; then make  TLDEPS= lib+util ; \
    else make  TLDEPS= lib+util ; fi ) ; fi
make[1]: Entering directory `/home/jy/espresso/espresso-4.1.1/iotk'
cd src ; make lib+util
make[2]: Entering directory `/home/jy/espresso/espresso-4.1.1/iotk/src'
mpif90 -O2 -fast -r8 -Mfree -Mx,119,0x200000 -D__GFORTRAN -D__FFTW
-I../include -I./  -I../Modules  -I../iotk/src -I../PW  -I../PH  -I../EE
-I../GIPAW -c iotk_base.f90
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
20)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
30)
PGF90-S-0087-Non-constant expression where constant expression required
(iotk_base.spp: 56)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
72)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
74)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
72)
PGF90-S-0087-Non-constant expression where constant expression required
(iotk_base.spp: 73)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
74)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
72)
PGF90-S-0087-Non-constant expression where constant expression required
(iotk_base.spp: 73)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
74)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
72)
PGF90-S-0087-Non-constant expression where constant expression required
(iotk_base.spp: 73)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
74)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
72)
PGF90-S-0087-Non-constant expression where constant expression required
(iotk_base.spp: 73)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
74)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
72)
PGF90-S-0087-Non-constant expression where constant expression required
(iotk_base.spp: 73)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
74)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
72)
PGF90-S-0087-Non-constant expression where constant expression required
(iotk_base.spp: 73)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
74)
PGF90-S-0021-Label field of continuation line is not blank (iotk_base.spp:
72)
PGF90-S-0087-Non-constant expression where constant expression required
(iotk_base.spp: 73)
PGF90-F-0008-Error limit exceeded (iotk_base.spp: 73)
PGF90/x86-64 Linux 7.0-5: compilation aborted
make[2]: *** [iotk_base.o] Error 2
make[2]: Leaving directory `/home/jy/espresso/espresso-4.1.1/iotk/src'
make[1]: *** [lib+util] Error 2
make[1]: Leaving directory `/home/jy/espresso/espresso-4.1.1/iotk'
make: *** [libiotk] Error 2


and my make.sys is:
# 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 $<


# 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

DFLAGS         =  -D__GFORTRAN -D__FFTW
FDFLAGS        = $(DFLAGS)

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

IFLAGS         = -I../include

# MODFLAGS = flag used by f90 compiler to locate modules
# You need to search for modules in ./, in ../iotk/src, in ../Modules
# Some applications also need modules in ../PW and ../PH

MODFLAGS       = -I./  -I../Modules  -I../iotk/src \
                 -I../PW  -I../PH  -I../EE -I../GIPAW

# 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         = mpif90
#F90           = gfortran
CC             = pgcc
F77            = pgf77

# 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 -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) $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
F90FLAGS = $(FFLAGS) -Mfree -Mx,119,0x200000 $(FDFLAGS) $(IFLAGS)
$(MODFLAGS)
#F90FLAGS       = $(FFLAGS) -x f95-cpp-input $(FDFLAGS) $(IFLAGS)
$(MODFLAGS)
#FFLAGS         = -O3
FFLAGS = -O2 -fast -r8

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

FFLAGS_NOOPT = -O0 -Mx,119,0x200000
#FFLAGS_NOOPT   = -O0

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

LD             = mpif90
LDFLAGS        =
LD_LIBS        =

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

# If you have nothing better, use the local copy : ../flib/blas.a

#BLAS_LIBS      =/home/jy/espresso/lapack-3.2.1
 BLAS_LIBS      = /home/jy/espresso/libs/libfftw3.a

# The following lapack libraries will be available in flib/ :
# ../flib/lapack.a : contains all needed routines
# ../flib/lapack_atlas.a: only routines not present in the Atlas library
# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack !
# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order

LAPACK_LIBS    = /home/jy/espresso/lapack-3.2.1/lapack_LINUX.a

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

#FFT_LIBS       =/home/jy/espresso/fftw-3.2.2/lib
 FFT_LIBS       = /home/jy/espresso/libs/libfftw3.a

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

 MPI_LIBS       =/opt/mpich-1.2.5.2/lib -lmpich
#MPI_LIBS       = /opt/mpich1.2.5.2/lib/libpmpich.a -lmpich

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

MASS_LIBS      =

# pgplot libraries (used by some post-processing tools)

PGPLOT_LIBS    =

# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv
# ARFLAGS_DYNAMIC is used in iotk to produce a dynamical library,
# for Mac OS-X with PowerPC and xlf compiler. In all other cases
# ARFLAGS_DYNAMIC = $(ARFLAGS)

AR             = ar
ARFLAGS        = ruv
ARFLAGS_DYNAMIC= 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

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


Could anybody help me? Thank you in advance.

By the way, how to choose 'F90FLAGS'?



-- 
Sincerely

Jiaye
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