[gmx-users] Problem in installing MPI version of Gromacs-3.3B

[David van der Spoel]

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

which compiler are you using?

try gcc first.


> 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'
> 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.
> 
> With Best Regards,
> Shankar Prasad Kanaujia
> Ph.D Student
> Bioinformatics Center, Department of SERC
> IISc, Bangalore - 12
> Mobile: 9845631581
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-- 
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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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