[gmx-users] error gcq#360

[Mark Abraham]

Hi,

There's no problem - that's just a fun "Gromacs Cool Quote" (i.e. "gcq"),
as the tools often print at the end of their run. This one is perhaps not a
good wording! (There are ways to turn them off, if they annoy people.)

Mark

On Fri, Jun 26, 2015 at 3:24 PM Urszula Uciechowska <
urszula.uciechowska at biotech.ug.edu.pl> wrote:

> Dear gmx users,
>
> after running grompp -f em.mdp -c COM_ions.gro -p COM.top -o em.tpr
>
> I obtained:
>
> GROMACS:      gmx grompp, VERSION 5.0
> Executable:
> /software/local/el6/INTEL/gromacs/5.0.0/intel-ompi-fftw-blas-lapack/bin/gmx
> Library dir:
>
> /software/local/el6/INTEL/gromacs/5.0.0/intel-ompi-fftw-blas-lapack/share/gromacs/top
> Command line:
>   grompp -f em.mdp -c COM_ions.gro -p COM.top -o em.tpr
>
>
> Back Off! I just backed up mdout.mdp to ./#mdout.mdp.3#
> Setting the LD random seed to 2993272762
> Generated 2211 of the 2211 non-bonded parameter combinations
> Generating 1-4 interactions: fudge = 0.5
> Generated 2211 of the 2211 1-4 parameter combinations
> Excluding 3 bonded neighbours molecule type 'DNA'
> Excluding 3 bonded neighbours molecule type 'DNA2'
> Excluding 3 bonded neighbours molecule type 'Protein3'
> Excluding 3 bonded neighbours molecule type 'Protein4'
> Excluding 3 bonded neighbours molecule type 'Protein5'
> Excluding 3 bonded neighbours molecule type 'Protein6'
> Excluding 2 bonded neighbours molecule type 'SOL'
> Excluding 1 bonded neighbours molecule type 'NA'
> Excluding 1 bonded neighbours molecule type 'CL'
> Removing all charge groups because cutoff-scheme=Verlet
> Analysing residue names:
> There are:   136        DNA residues
> There are:  1140    Protein residues
> There are: 557197      Water residues
> There are:  2152        Ion residues
> Analysing residues not classified as Protein/DNA/RNA/Water and splitting
> into groups...
> Analysing Protein...
> Analysing residues not classified as Protein/DNA/RNA/Water and splitting
> into groups...
> Number of degrees of freedom in T-Coupling group rest is 5090256.00
> Calculating fourier grid dimensions for X Y Z
> Using a fourier grid of 216x216x216, spacing 0.119 0.119 0.119
> Estimate for the relative computational load of the PME mesh part: 0.27
>
> NOTE 1 [file em.mdp]:
>   This run will generate roughly 586540 Mb of data
>
>
> There was 1 note
>
> gcq#360: "error: too many template-parameter-lists" (g++)
>
>
> At the end I have em.tpr file but I am not sure if everything is ok.
>
> Any suggestions.
>
> best regards
> Urszula
>
>
> -----------------------------------------
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> http://www.ug.edu.pl/
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