Compiling NAMD 2.7 with the PLUMED patch

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Thu Jan 06 2011 - 16:55:03 CST

Hi!

Does anybody have experience compiling NAMD 2.7 with the PLUMED v1.2.2
patch? I have followed the directions:

1) build charm++ converse library: ./build charm++ mpi-linux-x86_64
--no-build-shared --with-production

2) Configure NAMD code: ./config Linux-x86_64-g++ --charm-arch
net-linux-x86_64

3) apply the patch: ./plumedpatch_namd_2.7.sh -patch

4) compile NAMD as usual: cd Linux-x86_64-g++ ; make

NAMD compiles correctly and the alanine benchmark runs fine.

However, when I try to run one of the PLUMED tests in the PLUMED package,
I get the error:

ERROR: The following variables were set in the
ERROR: configuration file but are NOT VALID
ERROR: plumedfile
ERROR: plumed
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE

It looks like as if the PLUMED patch did not work. Can anybody with
experience compiling NAMD+PLUMED please help me?

Thank you very much!

                   Gianluca

-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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