Hi Jaya,
> 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.
Which compiler for linux has the name 'f95'? I have never come across this.
Are you sure this is what you want to use? On linux_em64t I advise using the
Intel compilers. Did you try this?
As for fftw you are unlikely to gain much performance with this and will
massively complicate the building process. On Linux EM64T I would suggest
doing:
./configure linux_em64t ifort mvapich bintraj
Then edit the config.h file to strip out all the mpi libraries etc and
replace ifort with mpif90 and also bring the compiler optimization flags up
to date.
This technically works with any compiler as long as you adjust the flags in
fopt etc to match those expected by the compiler you are using.
All the best
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/ |
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Received on Fri May 14 2010 - 09:30:05 PDT
