#INFO# #INFO# Configuration to build a serial cpmd executable for a linux machine #INFO# with an AMD64/EM64T cpu (Opteron/AthlonFX/Athlon64/Xeon-EM64T) using #INFO# the Intel Fortran Compiler with EM64T extensions. #INFO# #INFO# For optimal performance you should use a specifically tuned BLAS/LAPACK #INFO# library. #INFO# #INFO# see http://www.theochem.ruhr-uni-bochum.de/~legacy.akohlmey/cpmd-linux.html #INFO# for more information on compilind and running CPMD on linux machines. #INFO# #INFO# NOTE: CPMD cannot be compiled with the GNU Fortran compiler. #INFO# IRAT=2 CFLAGS='-O2 -Wall -m64' CPP='/lib/cpp -P -C -traditional' CPPFLAGS='-D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DPOINTER8 -DLINUX_IFC' FFLAGS='-pc64 -tpp7 -O2 -unroll' LFLAGS='-static-libcxa -L. -latlas_x86_64' FFLAGS_GROMOS='-Dgood_luck' if [ $debug ]; then FC='ifort -c -g' CC='gcc -g -Wall -m64' LD='ifort -g' else FC='ifort -c ' CC='gcc' LD='ifort ' fi