Hello,
Any help will be really appreciated. Many thanks in advance I have modified line 33 of Makefile regarding a recipe that used to work for Siesta #add in Makefile line 33: lib: libfdict.a libncdf.a libSiestaXC.a libfdf.a libSiestaForces.a System information: Centos 7.8 Loaded modules intel/19.1.1.217 netCDF/4.4.1.1-intel HDF5/1.8.10-intel PnetCDF/1.8.1-intel metis/5.1.0-intel Compilation output: [Full_PATH]/Src/iogrid_netcdf.F90(133): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [NETCDF] use netcdf [Full_PATH]/Src/iogrid_netcdf.F90(272): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [NETCDF] use netcdf ----^ [Full_PATH]/Src/iogrid_netcdf.F90(391): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [NETCDF] use netcdf, only: nf90_noerr, nf90_strerror ----^ [Full_PATH]/Src/iogrid_netcdf.F90(157): error #6404: This name does not have a type, and must have an explicit type. [NF90_SHARE] iret = nf90_create(trim(name)//".grid.nc",NF90_SHARE+NF90_WRITE,ncid) Arch.make as follows # # 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. # #------------------------------------------------------------------- # arch.make file for gfortran compiler. # To use this arch.make file you should rename it to # arch.make # or make a sym-link. # For an explanation of the flags see DOCUMENTED-TEMPLATE.make .SUFFIXES: .SUFFIXES: .f .F .o .c .a .f90 .F90 SIESTA_ARCH=x86_64-unknown-linux-intel CC = icc FPP = $(FC) -E -P FC = mpiifort #FC_SERIAL = ifort #FFLAGS = -O2 -fPIC -fp-model source #AR = ar RANLIB = ranlib SYS = nag SP_KIND = 4 DP_KIND = 8 KINDS = $(SP_KIND) $(DP_KIND) #LDFLAGS = FFLAGS= -qopenmp -I/opt/shared/apps/netCDF/4.4.1.1-intel/include/ -I/opt/apps/Siesta/siesta-4.1.5/Obj FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DCDF -DSIESTA__NO_MRRR LDFLAGS= -qopenmp ARFLAGS_EXTRA= FCFLAGS_fixed_f= FCFLAGS_free_f90= FPPFLAGS_fixed_F= FPPFLAGS_free_F90= BLACS_LIBS= -L${MKLROOT}/lib/intel64 -libmkl_scalapack_lp64 -libmkl_intel_lp64 -libmkl_intel_thread -libmkl_core -libmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl SCALAPACK_LIBS= -L${MKLROOT}/lib/intel64 -libmkl_scalapack_lp64 -libmkl_intel_lp64 -libmkl_intel_thread -libmkl_core -libmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl INTEL_LIBS = $MKLROOT/lib/intel64/libmkl_intel_lp64.a \ $(MKLROOT)/lib/intel64/libmkl_sequential.a \ $(MKLROOT)/lib/intel64/libmkl_core.a \ $(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a \ $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a MPI_LIBS = -L/opt/intel/compilers_and_libraries_2020.1.217/linux/mpi/intel64/lib -lmpi MPI_INCLUDE = -I/opt/intel/compilers_and_libraries_2020.1.217/linux/mpi/intel64/include #COMP_LIBS=dc_lapack.a liblapack.a libblas.a export NETCDF=/opt/shared/apps/netCDF/4.4.1.1-intel NETCDF_LIBS= -L$(NETCDF)/lib -L/opt/shared/apps/PnetCDF/1.7.0-intel/include -L/opt/shared/apps/HDF5/1.8.19-intel/lib -lnetcdff -lnetcdf -lhdf5_fortran -lhdf5 -lz -liomp5 NETCDF_INTERFACE=-I/apps/PNETCDF/1.8.1/INTEL/IMPI/include HDF5_ROOT=/opt/shared/apps/HDF5/1.8.19-intel/ NETCDF_INCFLAGS = -I$(NETCDF)/include HDF5_INCFLAGS = -I$(HDF5_ROOT)/include LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(NETCDF_LIBS) -L/apps/METIS/5.1.0/INTEL/lib -lmetis #SIESTA needs an F90 interface to MPI #This will give you SIESTA's own implementation #If your compiler vendor offers an alternative, you may change #to it here. MPI_INTERFACE=libmpi_f90.a INCFLAGS = $(NETCDF_INCFLAGS) $(HDF5_INCFLAGS) $(MPI_INCLUDE) $(MKL_INCLUDE) # 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) $<
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