...
- Run
./config Linux-amd64-MPI.postfix
to create an installation. - The new Charm++ and NAMD 2.7 use different platform names (e.g.
Linux-x86_64-OpenMPI
for NAMD 2.7, butLinux-amd64-MPI
for NAMD 2.6. This causes problems when looking for the Charm++ installation, so editMake.charm
in NAMD directory:Code Block CHARMBASE = /share/apps/charm-6.2.0/mpi-linux-x86_64-mpicxx
- Then edit
Makearch
in theLinux-amd64-MPI.postfix
directory as follows, by changing theCHARM=...
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
- 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.