Dear Prof.Walker
Thank you very much for your valuable instructions.I followed your
instructions and succeeded to install Amber10 in one of our clusters.
Now I am trying to do the same in another cluster.During the installation of
pmemd again I have another problem.My platform is * linux_em64t* ,compiler
is* f95*,parallel implementation is *mpi*,fft option is *fftw.
*
So to configure the pmemd I think I have to create a file with
name*"linux_em64t f95 mpi"
* in the config_data directory.But I couldn't understand the format of such
files in that directory.So I would be very thankful if anyone give me the
needed instructions to create that file.
Thanks and regards to all
Jaya
On Mon, May 10, 2010 at 7:49 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Dear Jaya,
>
> > I have given the following commands to apply bugfix
> > patch -p0 -N -r patch-rejects < bugfix.all
> > patch -p0 <bugfix.26 > chk
>
> This is a lot of the problem I think. Why are you applying the bugfixes
> twice? The bugfix.all file contains the bugfix.26.
>
> I would suggest completely deleting your amber 10 tree. Then recreating it
> fresh by untaring the AmberTools1.2 and Amber10 tar files. Next do:
>
> cd amber10
> wget http://ambermd.org/bugfixes/AmberTools/1.2/bugfix.all
> patch -p0 <bugfix.all
> rm -f bugfix.all
> wget http://ambermd.org/bugfixes/10.0/bugfix.all
> wget http://ambermd.org/bugfixes/10.0/apply_bugfix_all.x
> chmod 700 apply_bugfix_all.x
> ./apply_bugfix_all.x bugfix.all
>
> Then try to build things again. If it still fails then I suspect it might
> be
> an issue with your preprocessor in which case please send me (to my email
> directly) both your charmm.fpp and charmm.f90 files.
>
> Good luck,
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
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Received on Fri May 14 2010 - 06:00:18 PDT
