genesis-reproduce-for-debug.txt

Genesis version 2.1.2

May need:
    sudo apt install mpich

    sudo apt install libopenmpi-dev
        checking for MPI type... gfortran: error: unrecognized command-line option '--showme:version';
            did you mean '--no-m2-version'?
            no MPI

    sudo apt install libblas-dev liblapack-dev


./configure
make

cd src/lib
make

cd src/atdyn
make atdyn



atdyn/Makefile:
    > FCFLAGS =  -g -ffast-math -march=native -ffree-line-length-none -fopenmp
    > FCFLAGS_FFTE_KERNEL_FPP__PGI__SP =  -g -ffast-math -march=native -ffree-line-length-none -fopenmp
    > FCFLAGS_FPP__PGI_NOOPT =  -g -ffast-math -march=native -ffree-line-length-none -fopenmp
    > LDFLAGS =  -fopenmp  -llapack -lblas          # original, for OpenMM, no harm for debug
    #>LDFLAGS =            -llapack -lblas          # turn off OpenMM

lib/Makefile:
    > CFLAGS =  -g -ffast-math -march=native -fopenmp
    > FCFLAGS =  -g -ffast-math -march=native -ffree-line-length-none -fopenmp
    > FCFLAGS_FFTE_KERNEL_FPP__PGI__SP =  -g -ffast-math -march=native -ffree-line-length-none -fopenmp