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
--enable-fortran
--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
--
Stéphane Téletchéa, PhD. http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
INRA, Domaine de Vilvert Tél : (33) 134 652 891
78352 Jouy-en-Josas cedex, France Fax : (33) 134 652 901
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