To circumvent the intel 14+15 bug (yes, it _is_ a compiler bug due to the
optimization level, gdb confirms this) you can add this to your arch.make
file.
(the bug happens in atom.F file), simply compile that at a lower
optimization level:
atom.o: atom.F
$(FC) -c -O1 $(INCFLAGS) $(FPPFLAGS) $<
or whatever your .F.o: looks like.
The rest of the program could easily compile at -O3.
Might I also suggest you try with openblas and gfortran >=4.9.2 to see what
speedup you actually gain from intel.
2015-06-09 16:38 GMT+00:00 Grigory Shamov <[email protected]>:
> Hi All,
>
> I am having difficulty building the recent SIESTA 3.2 pl 5 with newer
> versions of Intel compilers. I use NetCDF and OpenMPI 1.6.5, built with the
> same compilers with usual flags. However, optimization level –O2 doesn't
> work for newer Intel compilers versions (14.0.2.144, 15.0.0.090) but works
> with the old Intel (12.1.5.339). -O1 works.
>
> Has anyone tried using the new Intel 14, Intel 15 Fortrans to build
> SIESTA; did it work for you? Are there any compiler options to make it to
> compile with a decent optimization level?
>
> Thank you in advance!
>
> ===== my arch.make goes below ====
> FPP=
> FPP_OUTPUT=
> FC=mpif90
> RANLIB=ranlib
>
> SYS=nag
>
> SP_KIND=4
> DP_KIND=8
> KINDS=$(SP_KIND) $(DP_KIND)
>
> FFLAGS=-g -O2 -xSSE4.2 -msse4.2
> FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DGRID_DP -DPHI_GRID_SP
> -DCDF
> LDFLAGS=
>
> ARFLAGS_EXTRA=
>
> FCFLAGS_fixed_f=
> FCFLAGS_free_f90=
> FPPFLAGS_fixed_F=
> FPPFLAGS_free_F90=
>
> BLAS_LIBS=-mkl=sequential
> LAPACK_LIBS=-mkl=sequential
> BLACS_LIBS=-L$(MKLROOT)/lib/intel64 -lmkl_blacs_openmpi_lp64
> SCALAPACK_LIBS=-L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64
>
> COMP_LIBS=dc_lapack.a
>
> NETCDF_LIBS=-L/global/software/netcdf/netcdf-4.1.3-intel14-66 -lnetcdff
> -lnetcdf
> NETCDF_INTERFACE=-I/global/software/netcdf/netcdf-4.1.3-intel14-66/include
> NETCDF_INCFLAGS=-I/global/software/netcdf/netcdf-4.1.3-intel14-66/include
>
>
> --
> Grigory Shamov
> Westgrid/ComputeCanada Site Lead
> University of Manitoba
> E2-588 EITC Building,
> (204) 474-9625
>
>
>
--
Kind regards Nick
