ml intel openmpi4 dpl
wget https://www.ks.uiuc.edu/Research/namd/alpha/2.15_intelgpu/download/NAMD_2.15alpha3_Source.tar.gz
tar xzf NAMD_2.15alpha3_Source.tar.gz
cd namd


wget http://www.ks.uiuc.edu/Research/namd/libraries/tcl8.5.9-linux-x86_64-threaded.tar.gz
tar xzf tcl8.5.9-linux-x86_64-threaded.tar.gz
ln -s tcl8.5.9-linux-x86_64-threaded tcl

wget http://www.ks.uiuc.edu/Research/namd/libraries/fftw-linux-x86_64.tar.gz
tar xzf fftw-linux-x86_64.tar.gz
ln -s linux-x86_64 fftw

git clone https://github.com/UIUC-PPL/charm.git
cd charm
vim ../Make.charm # Actualizo la variable a CHARM=/data/shared/apps/namd/2.15-sycl/charm_2023-12-18/
./build charm++ multicore-linux-x86_64 icx -j64 --with-production
cd Linux-x86_64-dpcpp-AOT
make -j64 # Actualizar los paths de fftw y tcl en los makefiles