---------- Forwarded message --------- From: Alberto Garcia <alber...@icmab.es> Date: Sun, Sep 23, 2018 at 4:03 PM Subject: Re: [SIESTA-L] parallel version issue of 4-1.-b3, m_orderbands.o: undefined reference to `indxg2p_' To: siesta-l <siesta-l@uam.es>
not useful, I am looking for clear answer Hi, You seem to be missing the blacs and pblas libraries. These are sometimes included in scalapack, but not on all systems, apparently. Since you seem to be working on an IBM machine, you might get some inspiration from this snippet of an arch.make file that I used in the past. Details might be different now: BLAS_LIBS=-lessl LAPACK_LIBS=/apps/lapack/3.1.1/XL/lib/liblapack_ppc64.a -lessl BLACS_LIBS=/apps/scalapack/64/lib/blacsCinit_MPI-ppc64-0.a /apps/scalapack/64/lib/blacsF77init_MPI-ppc64-0.a /apps/scalapack/64/lib/blacs_MPI-ppc64-0.a SCALAPACK_LIBS=/apps/scalapack/64/lib/blacsCinit_MPI-ppc64-0.a /apps/scalapack/64/lib/blacs_MPI-ppc64-0.a -L/apps/scalapack/64/lib -lscalapack Alberto ----- El 22 de Septiembre de 2018, a las 22:00, SPT saravp...@googlemail.com escribió: | Hi | | Issue is : siesta 4.1-b3 MPI" Installation. I found the following issue and | quite unsuccessful . | | I have following module's installed in our HPC. | | ps-01:siesta-4.1-b3] module load lapack/3.4.2 | ps-01:siesta-4.1-b3] module load openmpi/1.8.8 | ps-01:siesta-4.1-b3] module load numa/2.0.11 | ps-01:siesta-4.1-b3] module load openblas/0.2.19 | | In order to give the link of MPI, I checked the path of mpif90 in our cluster | | less /apps/openmpi/2.0.2/bin/mpif90 | /apps/openmpi/2.0.2/bin/mpif90" may be a binary file. See it anyway? | | In order to give the link of SCLAPACK, I checked the path of libscalapack.a in | our cluster | | less /apps/products/scalapack/2.0.2/arch/power8/xl-15.1+smpi-10.1/lib/ | libscalapack.a | "/apps/products/scalapack/2.0.2/arch/power8/xl-15.1+smpi-10.1/lib/ | libscalapack.a" may be a binary file. See it anyway? | | For the part of LAPACK and BLAS, sincce LAPACK and BLAS were library shipped | with | SIESTA. I let this default command in archfile. | | COMP_LIBS = libsiestaLAPACK.a libsiestaBLAS.a | | (Rest of your message deleted)
