madness-bgq

Compiling MADNESS in BG/Q

Modules in ~/.soft to compile

#FOR MADNESS

@remove +mpiwrapper-xl

+mpiwrapper-gcc

#!/bin/bash -x

export LANG=C

export XL_TOP="/soft/compilers/ibmcmp-nov2012"

export LIBS="${LIBS} -L/soft/libraries/alcf/20120810/xl/LAPACK/lib -llapack"

export LIBS="${LIBS} -L/soft/libraries/essl/current/lib64 -lesslsmpbg"

export LIBS="${LIBS} -L${XL_TOP}/xlf/bg/14.1/bglib64 -lxlf90_r -lxlfmath -lxlopt -lxl -Wl,-E"

export LIBS="${LIBS} -ldl "

export LIBS="${LIBS} -L${XL_TOP}/xlsmp/bg/3.1/bglib64 -lxlsmp "

export LIBS="${LIBS} -L/home/$USER/soft/m-a-d-n-e-s-s/trunk/src/lib/tensor/new_mtxmq/bests -lMADMTXM "

LD_LIBRARY_PATH=/usr/lib64:$LD_LIBRARY_PATH

export CPPFLAGS="-D__bgq__"

export CXXFLAGS="-O2 "

export CFLAGS="-O2"

export FFLAGS="-O2 "

export MPICC=mpicc

export MPICXX=mpicxx

export CC=mpicc

export CXX=mpicxx

export F77=mpif77

./configure \

--enable-debugging=yes \

--enable-optimization=no \

--enable-warning=GNU \

--host=powerpc64-bgq-linux \

--with-libxc=/home/$USER/install \

--with-elemental=/home/$USER/install/local/elementalnoomp \

--with-eigen3=/home/$USER/soft/eigen/eigen312 \

--with-fortran-int32

#--enable-optimal=no \

Profiling with TAU

export PATH=/soft/perftools/tau/tau2/bgq/bin/compilers/:$PATH

and run configure script

To call visual analyzer run 'paraprof tauprofile.xml '

export TAU_MAKEFILE=/soft/perftools/tau/tau2/bgq/lib/Makefile.tau-bgqtimers-mpi-pdt-openmp-opari