Re: Compiling NAMD 2.7 with the PLUMED patch

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Thu Jan 06 2011 - 17:41:23 CST

I found the problem. I needed to install the 'patch' program.

Gianluca

On Thu, 6 Jan 2011, Gianluca Interlandi wrote:

> 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.
> -----------------------------------------------------
>

-----------------------------------------------------
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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