The best option is to compile it with intel 10.1 as Madan says. However, even if ifort 11 is buggy, but I have recently compiled siesta using intell 11 both serial and parallel, and executed it accordingly. It is important that the environment variables are correctly set by using
source /opt/intel/Compiler/11.1/072/bin/intel64/ifortvars_intel64.sh and /opt/intel/Compiler/11.1/072/mkl/tools/environment/mklvarsem64t.sh As you can see, I am using intel 11.1.072 - I don't know if this really makes a difference, but in my case it worked after setting Write.XML to false in siesta_cmlsubs.f. It ran the (5,0) nanotube test without any noticeable problems, but I don't guarantee anything with version 11. Also, forget about O3 - I read somewhere that O3 has a very bad bug that intel hasn't solved yet :P. Switch to O2 and if you want speed you can try -ip. -ipo doesn't work, unfortunately. I am attaching my arch.make file for intel 11 - again, I don't take any responsibility or liability for anything. I am attaching my arch.make if anyone wants to try them. Marcos On Tue, Jul 27, 2010 at 4:40 PM, Koch, Robert J <r...@alfred.edu> wrote: > It should be under /Obj/FoX. Also, check the list logs, but I'm pretty > sure I've read on here that the intel compiler version 11 is buggy and to > compile siesta you need the old version (10). > > Best, > Rob > ________________________________ > From: Hosein Cheraghchi [cheraghch...@yahoo.com] > Sent: Tuesday, July 27, 2010 10:37 AM > To: siesta-l@uam.es > Subject: RE: [SIESTA-L] Problem of Compilation Siesta-3.0-rc2 using > ifort+mkl > > Dear Rob, > I was looking for config.log announced in the directory Obj/, but I could > not find it. Where can I find related config.log file. > Best, > hossein > --- On Tue, 7/27/10, Koch, Robert J <r...@alfred.edu> wrote: > > From: Koch, Robert J <r...@alfred.edu> > Subject: RE: [SIESTA-L] Problem of Compilation Siesta-3.0-rc2 using > ifort+mkl > To: "siesta-l@uam.es" <siesta-l@uam.es> > Date: Tuesday, July 27, 2010, 6:56 PM > > Hossein, > > Did you have a look at config.log? > > Cheers, > Rob > ________________________________ > From: Hosein Cheraghchi [cheraghch...@yahoo.com<UrlBlockedError.aspx>] > Sent: Tuesday, July 27, 2010 10:19 AM > To: siesta-l@uam.es<UrlBlockedError.aspx> > Subject: [SIESTA-L] Problem of Compilation Siesta-3.0-rc2 using ifort+mkl > > Dear Siesta Users and Developers, > > In my system, it was already installed intel fortran compiler 11.1: the > command: > "which ifort" results in "/opt/intel/Compiler/11.1/064/bin/intel64/ifort". > Moreover, there is a "mkl" folder with probably the same version as intel > fortran compiler with the path: > /opt/intel/Compiler/11.1/064/mkl/lib/em64t > Now I intend to install serial siesta by using "nano-intel-serial.make" > file. I modified this file as the following for making my arch.make. > __________________________________________________________ > FC=ifort > # > FFLAGS= -w -O3 -mp > #EXTRA_LIBS=-lpthread -lsvml > FFLAGS_DEBUG= -g > FFLAGS_CHECKS= -g -O0 -debug full -traceback -C > LDFLAGS= -static > COMP_LIBS= > RANLIB=echo > # > NETCDF_LIBS= > NETCDF_INTERFACE= > FPPFLAGS_CDF= > # > MPI_INTERFACE= > MPI_INCLUDE= > FPPFLAGS_MPI= > # > > LIBS=-L/opt/intel/Compiler/11.1/064/mkl/lib/em64t -lmkl_lapack -lmkl_em64t > \ > -lguide $(EXTRA_LIBS) > SYS=nag > FPPFLAGS= $(FPPFLAGS_CDF) $(FPPFLAGS_MPI) > ______________________________________________________________ > After running obj_setup.sh and copying this arch.make in both folerds Obj/ > and Src/, I run "make" command. The following message appears which shows > could not determine a flag to its executables: > > [cheragh...@cluster ifort]$ make > > Compilation architecture to be used: nano-intel-serial > If this is not what you want, create the right > arch.make file using the models in Src/Sys > > Hit ^C to abort... > (cd FoX; touch arch.make ; \ > > CONFIGURE="/home/cheraghchi/ifort_siesta/siesta-3.0-rc2/Src/FoX/configure"; > \ > $CONFIGURE > VPATH="/home/cheraghchi/ifort_siesta/siesta-3.0-rc2/Src/FoX" \ > FC="ifort" FCFLAGS="-w -O3 -mp" \ > --enable-wcml || false ) > checking build system type... x86_64-unknown-linux-gnu > checking host system type... x86_64-unknown-linux-gnu > checking for linker flag to name executables... configure: error: Could not > determine flag to name executables > See `config.log' for more details. > make: *** [FoX/.config] Error 1 > ________________________________________________________ > I do not have any idea. Could you help me? > Best Regards, > Hossein > > > > > > >
arch.make.ifort11-serial
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arch.make.ifort11-parallel
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