Dear Peter, Difficult to say: I am using a fftw module compiled by the IT manager of the supercomputer. I am going to try to solve the problem with him.
Thank you for your response. Best, Pascal > ---------------------------------------- > From: Peter Blaha <pbl...@theochem.tuwien.ac.at> > Sent: Sat Dec 20 15:32:38 CET 2014 > To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> > Subject: Re: [Wien] error while compiling lapw0_mpi > > > Not sure about this problem, but: > Did you compile fftw (and openmpi) with cc or icc ?? > > Am 20.12.2014 um 11:05 schrieb Pascal Boulet: > > Dear all, > > > > I have downloaded version 14 of Wien2K. I am trying to compile it on a > > Intel Xeon parallel computer with ifort(13)/openmpi(1.6.3)/fftw(3.3). > > > > I am facing a problem with compiling lapw0_mpi. The error message is shown > > below. > > > > /usr/local/fftw-3.3-intel/include/fftw3-mpi.f03(33): error #5082: Syntax > > error, found ')' when expecting one of: ( * <IDENTIFIER> > > <CHAR_CON_KIND_PARAM> > > <CHAR_NAM_KIND_PARAM> <CHARACTER_CONSTANT> ... > > integer(), value :: comm > > --------------^ > > > > The other lapwX_mpi packages compile fine and work well. > > > > > > Has anyone seen this message before? > > > > Thank you for your help. > > > > Pascal > > > > > > For sake of completeness here are the various compilation options: > > > > Compilers: > > ifort/cc/mpif90 > > > > Parallel options: > > setenv TASKSET "no" > > setenv USE_REMOTE 0 > > setenv MPI_REMOTE 0 > > setenv WIEN_GRANULARITY 1 > > setenv WIEN_MPIRUN "mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ ยป > > > > Compiler options and libraries: > > current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback > > -assume buffered_io > > current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback > > -assume buffered_io > > current:FFTW_OPT:-DFFTW3 -I/usr/local/fftw-3.3-intel/include > > current:FFTW_LIBS:-lfftw3_mpi -lfftw3 -L/usr/local/fftw-3.3-intel/lib > > current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread > > current:DPARALLEL:'-DParallel' > > current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread > > -lmkl_core -openmp -lpthread > > current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_blacs_lp64 $(R_LIBS) > > current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ > > current:MKL_TARGET_ARCH:intel64 > > > > > > > > Pascal Boulet > > > > -- > > pascal.bou...@univ-amu.fr <mailto:pascal.bou...@univ-amu.fr> > > Aix-Marseille University > > MADIREL Laboratory > > Avenue Normandie-Niemen > > F-13397 Marseille Cedex 20 > > Tel.: +33 413.55.18.10 > > Fax: +33 413.55.18.50 > > http://allos.up.univ-mrs.fr/pascal/ > > > > > > _______________________________________________ > > Wien mailing list > > Wien@zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > SEARCH the MAILING-LIST at: > > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > > > -- > ----------------------------------------- > Peter Blaha > Inst. Materials Chemistry, TU Vienna > Getreidemarkt 9, A-1060 Vienna, Austria > Tel: +43-1-5880115671 > Fax: +43-1-5880115698 > email: pbl...@theochem.tuwien.ac.at > ----------------------------------------- > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >----------------- Pascal Boulet Aix-Marseille University MADIREL Laboratory Avenue Normandie-Niemen 13397 Marseille Cedex 20 Email: pascal.bou...@univ-amu.fr Tel. +33 413 55 18 10 Fax +33 413 55 18 50 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
