Dear SIESTA developers and users,
I am trying to compile SIESTA-4.1b4 with flook library. I am using
intel compiler and I have executed the install_flook.bash script to
install flook. This is the error message I get:
==> Incorporating information about present compilation (compiler and flags)
make "FPPFLAGS=-DMPI -DCDF -DNCDF -DNCDF_4 -DNCDF_PARALLEL
-DSIESTA__FLOOK" compinfo.o
make[1]: Entering directory
`/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Obj'
mpiifort -c -O2 -fPIC -fp-speculation=strict -fp-model strict -I
-I/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Docs/build/flook/0.7.0/include -DMPI -DCDF -DNCDF -DNCDF_4 -DNCDF_PARALLEL -DSIESTA__FLOOK
compinfo.F90
make[1]: Leaving directory
`/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Obj'
mpiifort -c -O2 -fPIC -fp-speculation=strict -fp-model strict -I
-I/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Docs/build/flook/0.7.0/include -DMPI -DCDF -DNCDF -DNCDF_4 -DNCDF_PARALLEL -DSIESTA__FLOOK
/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Src/siesta_options.F90
/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Src/siesta_options.F90(11): error #7002: Error in opening the compiled module file. Check INCLUDE paths.
[FLOOK]
use flook, only : luaState
------^
/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Src/siesta_options.F90(230): error #6406: Conflicting attributes or multiple declaration of name.
[LUASTATE]
type(luaState) :: LUA
-------^
/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Src/siesta_options.F90(11): error #6580: Name in only-list does not exist or is not accessible.
[LUASTATE]
use flook, only : luaState
--------------------^
compilation aborted for
/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Src/siesta_options.F90 (code
1)
make: *** [siesta_options.o] Error 1
Can someone give me some advice on how to solve this error? Thank you
very much!
Best,
Yuefei
--
Yuefei Huang
Graduate Student
Department of Material Science and NanoEngineering
Rice University
email: yuefei.hu...@rice.edu
phone: +1-832-499-9169
#
# Copyright (C) 1996-2016 The SIESTA group
# This file is distributed under the terms of the
# GNU General Public License: see COPYING in the top directory
# or http://www.gnu.org/copyleft/gpl.txt.
# See Docs/Contributors.txt for a list of contributors.
#
#-------------------------------------------------------------------
.SUFFIXES: .f .F .o .c .a .f90 .F90
SIESTA_ARCH = x86_64-unknown-linux-gnu--Intel
CC = mpicc
FPP = $(FC) -E -P -x c
FC = mpiifort
FC_SERIAL = ifort
MPI_INTERFACE = libmpi_f90.a
MPI_INCLUDE = .
FPPFLAGS += -DMPI
FFLAGS = -O2 -fPIC -fp-speculation=strict -fp-model strict -I${TACC_NETCDF_INC} #-I{EBROOTNETCDFMINFORTRAN}/include
AR = ar
RANLIB = ranlib
SYS = nag
SP_KIND = 4
DP_KIND = 8
KINDS = $(SP_KIND) $(DP_KIND)
LDFLAGS =
#COMP_LIBS = libsiestaLAPACK.a libsiestaBLAS.a
FPPFlAGS += -DFC_HAVE_ABORT -DFC_HAVE_FLUSH
#FPPFLAGS += $(DEFS_PREFIX) -DFC_HAVE_ABORT -DFC_HAVE_FLUSH
#
LIBS =
#BLAS_LIBS=-L${MKLROOT}/lib/intel64 -lmkl_blas95_lp64
#lAPACK_LIBS=-L${MKLROOT}/lib/intel64 -lmkl_lapack95_lp64
#SCALAPACK_LIBS= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_ilp64 -lpthread -lm -ldl
#
#qj MKL Link
BLAS_LIBS=-L${MKLROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl
LAPACK_LIBS=-L${MKLROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl
BLACS_LIBS=-lmkl_blacs_intelmpi_lp64
SCALAPACK_LIBS=-lmkl_scalapack_lp64
#
#
NETCDF_LIBS=-L${TACC_NETCDF_LIB} -lnetcdff -lnetcdf
HDF5_LIBS=-L${TACC_HDF5_LIB} -lhdf5_fortran -lhdf5 -lz
##Z_LIBS=-L${EBROOTZLIB}/lib -lz
###LIBS = $(LAPACK_LIBS) $(BLAS_LIBS) $(SCALAPACK_LIBS) $(NETCDF_LIBS) $(HDF5_LIBS)
##
#FFTW_LIBS=-L${EBROOTFFTW}/lib -lfftw3 -lfftw3f # This line is in QJ's Davinci arch.make file
LIBS = $(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(NETCDF_LIBS) $(HDF5_LIBS)
##
CPPFLAGS=-I${TACC_NETCDF_INC}/include #Added by Yuefei
##
COMP_LIBS += libncdf.a libfdict.a #Added by Yuefei, ncdf
FPPFLAGS += -DCDF -DNCDF -DNCDF_4
FPPFLAGS += -DNCDF_PARALLEL
INCFLAGS += -I/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Docs/build/flook/0.7.0/include
LDFLAGS += -L/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Docs/build/flook/0.7.0/lib -Wl,-rpath=/home1/05762/tg850616/Compile/Compile_SIESTA/siesta-4.1-b4-Intel/Docs/build/flook/0.7.0/lib
LIBS += -L/opt/flook/lib -lflookall -ldl
COMP_LIBS += libfdict.a
FPPFLAGS += -DSIESTA__FLOOK
#
# Dependency rules ---------
FFLAGS_DEBUG = -g -O1 -fp-model source # your appropriate flags here...
# The atom.f code is very vulnerable. Particularly the Intel compiler
# will make an erroneous compilation of atom.f with high optimization
# levels.
atom.o: atom.F
$(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<
state_analysis.o: state_analysis.F
$(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<
.c.o:
$(CC) -c $(CFLAGS) $(INCFLAGS) $(CPPFLAGS) $<
.F.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<
.F90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $<
.f.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $<
.f90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $<
--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
