From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Feb 28 2013 - 11:26:00 CST
Francesco: please don't be snippy. You did not give any information about
your machine, like most computational scientists would tell you. I think
you would find useful posts on this subject in the VMD and LAMMPS mailing
The PLUMED patch (as its documentation says) is applied to the source code
before compilation, and doesn't affect the NAMD Makefiles.
Just apply the patch, and compile the patched NAMD as you would the vanilla
Still in doubt but unwilling to provide details? Try the first compilation
option that will succeed, and run some test calculations on the damn thing.
On Thu, Feb 28, 2013 at 12:02 PM, Francesco Pietra <chiendarret_at_gmail.com>wrote:
> Sorry, previously I forgot the subject
> ---------- Forwarded message ----------
> From: Francesco Pietra <chiendarret_at_gmail.com>
> Date: Thu, Feb 28, 2013 at 5:59 PM
> To: NAMD <namd-l_at_ks.uiuc.edu>, giacomo.fiorin_at_gmail.com
> Probably this message of mine, about the compilation of NAMD with
> PLUMED included, has gone submerged, and thus unnoticed (or it is such
> a naive question that does not warrant a reply):
> Thanks of the advice. A doubt about the last stage, when I have
> everything (namd code, tcl fftw, plumed with its env var) under the
> namd directory,
> export plumedir="root_of_plumed_package"
> cp $plumedir/patches/plumedpatch_namd_x.y.sh
> ./config Linux-x86_64-g++ --charm-arch multicore-linux64 --with-cuda
> ./plumedpatch_namd_2.9.sh -patch
> is "--charm-arch multicore-linux64 --with-cuda" correct, or just
> "--with-cuda" only?
> thanks francesco
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