Hi, thanks for your answers, this is my compilation variables:
export NWCHEM_TOP=/home/mauricio/NWCHEM/nwchem-6.1.1-src
export NWCHEM_TARGET=LINUX64
export ARMCI_NETWORK=MPI2
export USE_MPI y
export USE_MPIF y
export USE_MPIF4 y
export MPI_LOC=/usr/lib/openmpi
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
export NWCHEM_MODULES="all"
export USE_SCALAPACK y
export SCALAPACK=/usr/lib
cd $NWCHEM_TOP/src
make nwchem_config
make FC=gfortran
This fails with all examples
My hardware is:
AMD FX(tm)-8120 Eight-Core Processor
RAM 10GB
2 GPU Geforce 480GTX
HD 1 TB
Debian Wheezy 64 bits
Thanks
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