Dear Sir, I am thankful for your response. If you compiled using openmpi then kindly share your arch.make file.
Thanking you Regards Ananya On 25 Jun 2017 1:33 a.m., "Uma Shankar Sharma" <[email protected]> wrote: > 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 >> >
