Great, yes, MUMPS can be quite tricky. It isn't necessary anyways. :)
Den ons. 24. apr. 2019 kl. 22.00 skrev I. Camps <ica...@gmail.com>:
> 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
>>
>
--
Kind regards Nick
