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CAML CPMD Install

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Installation

Unpack, use this config file, named PGI-AMD64-MPI, under CONFIGURE:

     IRAT=2
     CFLAGS=''
     CPP='/lib/cpp -P -C -traditional'
     CPPFLAGS='-D__Linux -D__PGI -DFFT_DEFAULT -DPOINTER8 -D__pgf90 \
               -DPARALLEL -DMYRINET -D__DERF'
     FFLAGS='-r8 -pc=64 -Msignextend '
     LFLAGS='-Bstatic -L. -llapack -lblas'
     FFLAGS_GROMOS='-Dgood_luck $(FFLAGS)'
     if [ $debug ]; then
       FC='mpif77 -c -g'
       CC='mpicc -g -Wall'
       LD='mpif77 -g'
     else
       FC='mpif77 -c -fastsse -tp k8-64'
       CC='mpicc -O2 -Wall -m64'
       LD='mpif77 -fastsse -tp k8-64'
     fi
 

Execute './mkconfig.sh PGI-AMD64-MPI > Makefile', then 'make'.

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