A couple of things... 1) Didn't you just acknowledge that you completed the 2.0.2 scalapack installation successfully? In that case I would recommend you to use that library. (However, there can be other reasons you wish to use the "old" library, in that case disregard this point). Remember if you use 2.0.2 to remove the BLACS_LIBS line, it is not necessary. 2) The COMP_LIBS is only required if you lack the LAPACK/BLAS libraries, which you don't. So you should simply out-comment that line and try to recompile. 3) NetLIB lapack has been updated to 3.5.0, it does not affect any calculations in regards of siesta, the bugfixes are to my knowledge in other routines.
Kind regards Nick 2014/1/17 Swati Khatta <[email protected]> > Dear siesta users > > I am trying to install siesta in parallel but after editing my arch.make > file as given below when I try to make it it will shown me the error > Compilation architecture to be used: x86_64-unknown-linux-gnu--unknown > If this is not what you want, create the right > arch.make file using the models in Src/Sys > > Hit ^C to abort... > > ==> Incorporating information about present compilation (compiler and > flags) > make[1]: Entering directory `/home/sprakash/siesta-3.1/Obj' > /home/sprakash/mpich2-install/bin/mpif90 -c -g -O2 `FoX/FoX-config > --fcflags` -DFC_HAVE_FLUSH -DFC_HAVE_ABORT compinfo.F90 > make[1]: Leaving directory `/home/sprakash/siesta-3.1/Obj' > #@rm -f compinfo.F90 > > make: *** No rule to make target `Libs/lapack.f', needed by > `liblapack.a'. Stop. > > > ############################################################################ > > # arch .make file > .SUFFIXES: > .SUFFIXES: .f .F .o .a .f90 .F90 > > SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown > > FPP= > FPP_OUTPUT= > FC=/home/sprakash/mpich2-install/bin/mpif90 > RANLIB=ranlib > > SYS=nag > > SP_KIND=4 > DP_KIND=8 > KINDS=$(SP_KIND) $(DP_KIND) > > FFLAGS=-g -O2 > FPPFLAGS= -DFC_HAVE_FLUSH -DFC_HAVE_ABORT > LDFLAGS= > ARFLAGS_EXTRA= > > FCFLAGS_fixed_f= > FCFLAGS_free_f90= > FPPFLAGS_fixed_F= > FPPFLAGS_free_F90= > > BLAS_LIBS=/home/sprakash/libraries/BLAS/blas_LINUX.a > LAPACK_LIBS=/home/sprakash/libraries/lapack-3.4.2/liblapack.a > BLACS_LIBS=/home/sprakash/libraries/BLACS/LIB/blacsF77init_MPI-LINUX-0.a \ > /home/sprakash/libraries/BLACS/LIB/blacsCinit_MPI-LINUX-0.a \ > /home/sprakash/libraries/BLACS/LIB/blacs_MPI-LINUX-0.a > SCALAPACK_LIBS=/home/sprakash/libraries/scalapack-1.8.0/libscalapack.a > > COMP_LIBS= blapack.a libblas.a dc_lapack.a > > NETCDF_LIBS= > NETCDF_INTERFACE= > > LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) > $(NETCDF_LIBS) > #SIESTA needs an F90 interface to MPI > #This will give you SIESTA's own implementation > #If your compiler vendor offers an alternative, you may change > #to it here. > MPI_INTERFACE=libmpi_f90.a > MPI_INCLUDE=./home/sprakash/mpich2-install/include > MPI_LIBS=/home/sprakash/mpich2-install/lib > > #Dependency rules are created by autoconf according to whether > #discrete preprocessing is necessary or not. > .F.o: > $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $< > .F90.o: > $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $< > .f.o: > $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $< > .f90.o: > $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $< > > > > -- Kind regards Nick
