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]...*
*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:
*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${MKLROOT}/includeFFLAGS_CHECKS=-g -O0 -debug full -traceback
-CFFLAGS_DEBUG= -gDUMMY_FOX=--enable-dummy*
*INCFLAGS += -I/software/LIBS/netcdf-4.4.1/includeLDFLAGS +=
-L/software/LIBS/zlib-1.2.8/lib
-Wl,-rpath=/software/LIBS/zlib-1.2.8/libLDFLAGS +=
-L/software/LIBS/hdf5-1.8.12/lib
-Wl,-rpath=/software/LIBS/hdf5-1.8.12/libLDFLAGS +=
-L/software/LIBS/netcdf-4.4.1/lib
-Wl,-rpath=/software/LIBS/netcdf-4.4.1/libLIBS += -lnetcdff -lnetcdf
-lhdf5_hl -lhdf5 -lzCOMP_LIBS += libncdf.a libfdict.aFPPFLAGS += -DCDF
-DNCDF -DNCDF_4LDFLAGS += -static-intel
-L$(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) $<*
*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
