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  1. Run ./config Linux-amd64-MPI.postfix to create an installation.
  2. The new Charm++ and NAMD 2.7 use different platform names (e.g. Linux-x86_64-OpenMPI for NAMD 2.7, but Linux-amd64-MPI for NAMD 2.6. This causes problems when looking for the Charm++ installation, so edit Make.charm in NAMD directory:
    Code Block
    CHARMBASE = /share/apps/charm-6.2.0/mpi-linux-x86_64-mpicxx
    
  3. Then edit Makearch in the Linux-amd64-MPI.postfix directory as follows, by changing the CHARM=... line:
    Code Block
    include .rootdir/Make.charm
    include .rootdir/arch/Linux-amd64-MPI.arch
    CHARM = $(CHARMBASE)
    NAMD_PLATFORM = $(NAMD_ARCH)-MPI
    include .rootdir/arch/$(NAMD_ARCH)$(NAMD_SUBARCH).base
    
  4. Try make in the installation directory.

Other notes

Using the Mac OS 10.6 X11 client, XWindows is working, at least with small utilities like xcalc and xpbs. No tests with VMD yet.