Actually I'd have to clarify how it "doesn't work": the siesta binary compiles, but segfaults on any test in Tests.
From: Grigory Shamov <[email protected]<mailto:[email protected]>> Reply-To: "[email protected]<mailto:[email protected]>" <[email protected]<mailto:[email protected]>> Date: Tuesday, 9 June, 2015 11:38 AM To: "[email protected]<mailto:[email protected]>" <[email protected]<mailto:[email protected]>> Subject: [SIESTA-L] compiling with Intel Compilers v 14 - 15? 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
