Jonas, You're actually very fortunate that your ifort does not work... version 11 is buggy and does not work for Siesta 3 - at least until now (see my previous email to Madran Mitra) it does not work. So, you have actually saved yourself the time it would take to compile siesta :) Download ifort 10.1, install it and, in the end of your ~/.bashrc, add the following line:
source /opt/intel/<...complete-the-path-as-adequate...>/fce/bin/ifortvars.sh (if your system is 64-bits, otherwise use fc instead of fce) and then issue the command source ~/.bashrc Almost the same for mkl, but then the command to insert is source /opt/intel/mkl/<...complete-the-path-as-adequate...>/tools/environment/mklvarsxxx.sh where xxx=32 if your system has a 32-bit intel processor, 64 if it has a 64-bit intel processor, and em64t if it is a 64-bit non-intel processor, if I'm not mistaken. Only then should you (try to) compile siesta. Good luck, Marcos On Wed, Apr 28, 2010 at 3:10 PM, Jonas Baltrusaitis <[email protected]>wrote: > This is confusing since neither calls to compilers worked: > > [jbalt...@argon Obj]$ ifc -V > ifc: Command not found. > [jbalt...@argon Obj]$ ifort -V > ifort: Command not found. > > It can't be true, though, I am pretty sure one of these compilers exist. > How would I check for any other available compiler and how would my > arch.make change? Again, I have /opt/intel/Compiler/11.0/083/bin/intel64 > compilers > > Jonas > > --- On *Wed, 4/28/10, Marcos Veríssimo Alves < > [email protected]>* wrote: > > > From: Marcos Veríssimo Alves <[email protected]> > Subject: Re: [SIESTA-L] configure: error: Could not determine flag to name > executables > To: [email protected] > Date: Wednesday, April 28, 2010, 12:37 AM > > > Jonas, > > If you are using ifc to invoke your intel compiler, it must be a quite old > version, intel 8 or older. Is that so? What is happening here is that > configure is trying to determine what it needs tfo create executables by > making a series of calls to the compiler and it doesn't get anything in > return. I wonder two things: > > 1) If as time went by, something has changed in the fortrfan compiler > 2) If a newer version of the compiler is instfalled in your clusters and > you are calling ifc when you should be calling ifort instead. > > Check whether a call to "ifc -V" or "ifort-V" yield the same thing - or, > even, if the call to ifc actually works. If you have placed ifc by hand in > arch.make and it's not installed, it's likely that this is why you get this > error: configure does not check whether it's installed, and does not tell > you it's not, it just says it can't create execs. > > Marcos > > On Wed, Apr 28, 2010 at 2:17 AM, Jonas Baltrusaitis > <[email protected]<http://mc/[email protected]> > > wrote: > >> I am still trying to compile siesta according to the intel-mkl template. I >> set up correct paths for my libraries and when I do make, I get this: >> [jbalt...@argon Obj]$ make >> >> Compilation architecture to be used: intel-mkl >> 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/IOWA/jbaltrus/siesta/siesta-3.0-b/Src/FoX/configure"; \ >> $CONFIGURE >> VPATH="/home/IOWA/jbaltrus/siesta/siesta-3.0-b/Src/FoX" \ >> FC="ifc" FCFLAGS="-O3 -xP -mp" \ >> --enable-wcml || false ) >> checking build system type... >> x86_64-unknown-linux-gnu >> checking host system type... x86_64-unknown-linux-gnu >> checking for linker flag to name executables... configure: error: Could >> not determine flag to name executables >> See `config.log' for more details. >> make: *** [FoX/.config] Error 1 >> [jbalt...@argon Obj]$ >> >> Interestingly, I get that on three different clusters and other software >> packages compile and run normally with intel mkl. I was wondering if anybody >> could suggest where the problem is >> >> thanks >> >> Jonas >> >> >> >> # >> # This file is part of the SIESTA package. >> # >> # Copyright (c) Fundacion General Universidad Autonoma de Madrid: >> # E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal >> # and J.M.Soler, 1996- . >> # >> # Use of this software constitutes agreement with the full conditions >> # given in the SIESTA license, as signed by all legitimate users. >> # >> SIESTA_ARCH=intel-mkl >> # >> # Intel fortran compiler >> for linux with mkl optimized blas and lapack >> # >> # Be sure to experiment with different optimization options. >> # You have quite a number of combinations to try... >> # >> FC=ifc >> # >> FFLAGS=-O3 -xP -mp >> FFLAGS_DEBUG= -g -O0 >> RANLIB=echo >> MPI_INCLUDE=/opt/mpich-ch_p4/include >> MPI_INTERFACE=libmpi_f90.a >> FPPFLAGS_MPI=-DMPI >> # >> MPI_INTERFACE= >> MPI_INCLUDE= >> FPPFLAGS_MPI= >> # >> GUIDE=/opt/intel/Compiler/11.0/083/bin/intel64/libguide.a >> LAPACK=/opt/intel/Compiler/11.0/083/bin/intel64/libmkl_lapack.a >> BLAS=/opt/intel/Compiler/11.0/083/bin/intel64/libmkl_p3.a >> #G2C=/usr/lib/gcc-lib/i386-redhat-linux/2.96/libg2c.a >> LIBS=$(LAPACK) $(BLAS) $(G2C) $(GUIDE) -lpthread >> SYS=bsd >> FPPFLAGS= $(FPPFLAGS_CDF) $(FPPFLAGS_MPI) >> # >> .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) $< >> # >> >> >> >> >> >> >> >> >> >> >> >> >> >> > >
