To installation siesta you can followed steps given below : 1. Download Siesta from siesta website:
2. Unzip it in a permitted directory (For example HOME) and you obtain the directory : siesta-x.x 3. Run Following Commands: siesta-x.x is your version of siesta (i.e. 4.1b) > cd siesta-x.x/Obj > sh ../Src/obj_setup.sh > cd ../Src > ./configure > cp arch.make ../Obj > cd ../Obj > make 4. You need to slightly change the content of one file. There is a file named "test.mk" in both of your tests and obj/tests directories. you must replace the ../../../ in the content of the file with "/root/siesta-x.x/Obj" 5. In the tests directory (in both of your tests), enter make command to exectue Makefile and run the tests. It takes long to run all the tests. I hope it well be ok for you Good luck On 24 Jun 2017 1:30 a.m., "Ananya Rajpoot" <[email protected]> wrote: > Hello Siesta community > > I am a new user of Siesta. I recently installed Siesta-4.0 b1 version on > my cluster. > > I am just curious that wether I have used correct arch.make file with > correct libraries or not, hence I am requesting all of you to please verify > the same. The arch.make file and library list are given below: > > Libraries : > > 1. gcc version 4.8.2 > > 2. openmpi version gcc64 1.6.5-with-gcc-4.8.2 > > 3. scalapack (openmpi/gcc/64/2.0.2) > > 4. blas (gcc/64/3.6.0) > > 5. blacs (openmpi/gcc/64/1.1patch03) > > Arch.make file : > > # > > # Copyright (C) 1996-2016 The SIESTA group > > # This file is distributed under the terms of the > > # GNU General Public License: see COPYING in the top directory > > # or http://www.gnu.org/copyleft/gpl.txt. > > # See Docs/Contributors.txt for a list of contributors. > > # > > .SUFFIXES: > > .SUFFIXES: .f .F .o .a .f90 .F90 > > SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown > > CC=mpicc > > FPP= > > FPP_OUTPUT= > > FC=mpif90 > > RANLIB=ranlib > > SYS=nag > > SP_KIND=4 > > DP_KIND=8 > > KINDS=$(SP_KIND) $(DP_KIND) > > FFLAGS=-g -O2 > > FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT > > LDFLAGS= > > ARFLAGS_EXTRA= > > FCFLAGS_fixed_f= > > FCFLAGS_free_f90= > > FPPFLAGS_fixed_F= > > FPPFLAGS_free_F90= > > BLAS_LIBS=libsiestaBLAS.a > > LAPACK_LIBS=libsiestaLAPACK.a > > BLACS_LIBS=/blacs/openmpi/gcc/1.1patch03/lib64/libblacs.a > > SCALAPACK_LIBS=/scalapack/openmpi/gcc/2.0.2/lib64/libscalapack.a > > COMP_LIBS=libsiestaLAPACK.a libsiestaBLAS.a > > NETCDF_LIBS= > > NETCDF_INTERFACE= > > LIBS=$(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=. > > #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) $< > > Please anyone just verify so that I can proceed furthur. > > Thanks to all > > Regards > > Ananya >
