Stéphane Teletchéa wrote:
Shankar Prasad Kanaujia a écrit :

Dear Gromacs Users,
I have problem in installing MPI version of Gromacs-3.3 on linux cluster. I have installed fftw-3.0.1 in the Path /hpc/fftw3 and then have exported the include and lib path of fftw in my .bashrc file before installing gromacs-3.3.


Any chance you have made à typo ?

Now I want to install gromacs in the directory /hpc/gromacs3.3 by giving the command $./confiugre --enable-mpi --prefix=/hpc/gromacs3.3


confiugre should be configure

But it is giving error while $make command. The error is as follows:

CC1: error: to generate dependencies you must specify either -M or -MM
make[3]: *** [topio.o] Error 1
make[3]: Leaving directory '/hpc/gromacs-3.3/src/kernel'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory '/hpc/groamcs-3.3/src'


groamcs-3.3 should be gromacs-3.3

make[1]: *** [all] Error 2
make[1]: Leaving directory '/hpc/gromacs-3.3/src'
make: *** [all-recursive] Error 1

Could somebody suggest me the solution for this problem.
Thanking you all.


Consider adding those parameters to your ./configure commande line, for a better overall performance :

--enable-sse2
this is usually detected automatically

--enable-fortran
fortran is only useful on platforms like dec-alpha or IBM

--enable-mpi
--disable-nice
--with-gnu-ld

Last, since you're building everything now, you should consider using latest fftw (version 3.1.1 of March, 19th) and latest gromacs (3.3.1 of April, 5th).

Hoping it'll help !

Stéphane



--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
[EMAIL PROTECTED]       [EMAIL PROTECTED]   http://folding.bmc.uu.se
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