Dear Nick,
After cleaned up the arch.make, I successfully (semi)compiled
siesta-4.1-b4. I wrote (semi) because I got several errors with MUMPS that
I "solved" removing from arch.make.
Thank you very much.
Camps
On Mon, Apr 22, 2019 at 5:01 PM Nick Papior <nickpap...@gmail.com> wrote:
> You have a mixed usage of FPPFLAGS_* and LDFLAGS. So in the end you don't
> have the include directories for NetCDF (or any of your other libraries) in
> your FPPFLAGS variable (since you do FPPFLAGS = ... which overwrites what
> you did).
>
> Simply carefully go through your variables/flags and either append them
> directly to FPPFLAGS, or, be very consistent on your usage of FPPFLAGS_*
> variables.
>
> Den ons. 17. apr. 2019 kl. 22.01 skrev I. Camps <ica...@gmail.com>:
>
>> Hello,
>>
>> I am trying to compile siesta in a new box with the following
>> configuration:
>> OS: Debian 9.8 64bits
>> Compilers: Intel(R) Fortran Intel(R) 64 Compiler for applications running
>> on Intel(R) 64, Version 19.0.3.199 Build 20190206
>> MPI: Intel(R) MPI Library for Linux* OS, Version 2019 Update 3 Build
>> 20190214
>>
>> I am getting the following error message:
>>
>>
>>
>>
>> *netcdf_ncdf.f90(59): error #7002: Error in opening the compiled module
>> file. Check INCLUDE paths. [NETCDF] use
>> netcdf------^netcdf_ncdf.f90(95): error #8237: The character length in a
>> component declaration shall either be a colon, be an initialization
>> expression, or be a specification expression. [GRP]...*
>>
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>> *netcdf_ncdf.f90(663): error #6404: This name does not have a type, and
>> must have an explicit type. [NF90_INQUIRE_DIMENSION] call
>> ncdf_err(nf90_inquire_dimension(this%id,i,name=key))------------------------^netcdf_ncdf.f90(2964):
>> catastrophic error: Too many errors, exitingcompilation aborted for
>> netcdf_ncdf.f90 (code
>> 1)/home/icamps/temp/SIESTA/siesta-4.1-b4/Src/ncdf/smeka/Makefile.compiler:141:
>> recipe for target 'netcdf_ncdf.o' failedmake[1]: *** [netcdf_ncdf.o] Error
>> 1make[1]: Leaving directory
>> '/home/icamps/temp/SIESTA/siesta-4.1-b4/tmp-orange/ncdf/obj'Makefile:317:
>> recipe for target 'libncdf.a' failedmake: *** [libncdf.a] Error 2*
>>
>> This is driving me crazy as I used the same steps to compile siesta in
>> other linux boxes (only changing the Intel compilers and MPI versions)
>>
>> The output from NetCDF and NetCDF-Fortran are:
>>
>> NetCDF:
>> This netCDF 4.4.1 has been built with the following features:
>> --cc -> mpiicc
>> --cflags -> -I/software/LIBS/netcdf-4.4.1/include -fPIC
>> -I/software/LIBS/hdf5-1.8.12/include -I/include
>> -I/software/LIBS/pnetcdf-1.11.0/include
>> --libs ->
>> --has-c++ -> no
>> --cxx ->
>> --has-c++4 -> no
>> --cxx4 ->
>> --fc ->
>> --fflags ->
>> --flibs ->
>> --has-f90 -> no
>> --has-f03 -> no
>> --has-dap -> yes
>> --has-nc2 -> yes
>> --has-nc4 -> yes
>> --has-hdf5 -> yes
>> --has-hdf4 -> no
>> --has-logging-> no
>> --has-pnetcdf-> yes
>> --has-szlib ->
>> --prefix -> /software/LIBS/netcdf-4.4.1
>> --includedir-> /software/LIBS/netcdf-4.4.1/include
>> --version -> netCDF 4.4.1
>>
>> NetCDF-Fortran:
>> This netCDF-Fortran 4.4.4 has been built with the following features:
>> --cc -> mpiicc
>> --cflags -> -I/software/LIBS/netcdf-fortran-4.4.4/include -fPIC
>> -DgFortran -I/software/LIBS/hdf5-1.8.12/include -I/include
>> -I/software/LIBS/netcdf-4.4.1/include
>> --fc -> mpiifort
>> --fflags -> -I/software/LIBS/netcdf-fortran-4.4.4/include
>> --flibs -> -L/software/LIBS/netcdf-fortran-4.4.4/lib -lnetcdff
>> -lnetcdf -L/lib -Wl,-rpath=/lib -L/software/LIBS/hdf5-1.8.12/lib
>> -Wl,-rpath=/software/LIBS/hdf5-1.8.12/lib -L/software/LIBS/netcdf-4.4.1/lib
>> -Wl,-rpath=/software/LIBS/netcdf-4.4.1/lib -lnetcdf -lhdf5hl_fortran
>> -lhdf5_fortran -lhdf5_hl -lhdf5 -lz
>> --has-f90 -> no
>> --has-f03 -> yes
>> --has-nc2 -> yes
>> --has-nc4 -> yes
>> --prefix -> /software/LIBS/netcdf-fortran-4.4.4
>> --includedir-> /software/LIBS/netcdf-fortran-4.4.4/include
>> --version -> netCDF-Fortran 4.4.4
>>
>> My arch.make file:
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>> *SIESTA_ARCH=intel-mpi##FC=mpiifortFC_SERIAL=ifortCC=mpiiccCXX=mpicxxRANLIB=ranlibMKLPATH=/opt/intel/mkl/lib/intel64FFLAGS=-O1
>> -ipo -xHost -ip -prec-div -prec-sqrt -qopt-prefetch -mkl=parallel
>> -I${MKLROOT}/includeFFLAGS_CHECKS=-g -O0 -debug full -traceback
>> -CFFLAGS_DEBUG= -gDUMMY_FOX=--enable-dummy*
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>> *INCFLAGS += -I/software/LIBS/netcdf-4.4.1/includeLDFLAGS +=
>> -L/software/LIBS/zlib-1.2.8/lib
>> -Wl,-rpath=/software/LIBS/zlib-1.2.8/libLDFLAGS +=
>> -L/software/LIBS/hdf5-1.8.12/lib
>> -Wl,-rpath=/software/LIBS/hdf5-1.8.12/libLDFLAGS +=
>> -L/software/LIBS/netcdf-4.4.1/lib
>> -Wl,-rpath=/software/LIBS/netcdf-4.4.1/libLIBS += -lnetcdff -lnetcdf
>> -lhdf5_hl -lhdf5 -lzCOMP_LIBS += libncdf.a libfdict.aFPPFLAGS += -DCDF
>> -DNCDF -DNCDF_4LDFLAGS += -static-intel
>> -L$(MKLPATH)#MPI_INTERFACE=libmpi_f90.aMPI_INCLUDE=/opt/intel/impi/2019.3.199/intel64/include
>> # Note . for no-opMPI_LIBS= -L/opt/intel/impi/2019.3.199/intel64/lib
>> -lmpi_90FPPFLAGS_MPI=-DMPIMETIS_LIB=/software/LIBS/parmetis-4.0.3/lib/libparmetis.aFPPFLAGS
>> += -DSIESTA__METIS# MUMPSLIBS += -L/software/LIBS/MUMPS-5.0.2/lib -lzmumps
>> -lmumps_commonFPPFLAGS += -DSIESTA__MUMPSMKLROOT=${MKLPATH}SUGGESTED_LIBS=
>> ${MKLROOT}/libmkl_blas95_lp64.a ${MKLROOT}/libmkl_lapack95_lp64.a
>> \ ${MKLROOT}/libmkl_scalapack_lp64.a \
>> -Wl,--start-group \ ${MKLROOT}/libmkl_intel_lp64.a
>> \ ${MKLROOT}/libmkl_sequential.a \
>> ${MKLROOT}/libmkl_core.a \
>> ${MKLROOT}/libmkl_blacs_intelmpi_lp64.a \ -Wl,--end-group
>> \ -lm -ldlLIBS=$(SUGGESTED_LIBS) $(NETCDF_LIBS) $(COMP_LIBS)
>> $(METIS_LIB)#SYS=nagFPPFLAGS= $(FPPFLAGS_CDF) $(FPPFLAGS_MPI)INCFLAGS
>> +=$(NETCDF_INCFLAGS)#FFLAGS += $(INCFLAGS)#FFLAGS_DEBUG = -g -O1 # 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) $<*
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>> *c.o: $(CC) -c $(CFLAGS) $(INCFLAGS) $(CPPFLAGS) $<.F.o:
>> $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $<.f.o: $(FC) -c
>> $(FFLAGS) $(INCFLAGS) $<.F90.o: $(FC) -c $(FFLAGS) $(INCFLAGS)
>> $(FPPFLAGS) $<.f90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $<*
>> []'s,
>> Camps
>>
>
>
> --
> Kind regards Nick
>
