Mahendran E wrote:
Hi All,
I am Mahendran, I am new to gromacs, I have installed fftw-3.2.2 ,
gromacs-4.0.5 and mpich-1.2.6 in a cluster head node.
fftw-3.2.2
./configure
make
make install
Gromacs
./configure --enable-mpi -diable-nice
make mdrun
make install-mdrun
the above steps have been done.
No they haven't. The GROMACS configure line should probably have not
worked because of the typo. Please don't retype things from your
terminal to emails, or webpage to terminal, or such. Computers are
literal, and so do you need to be. Copy and paste is your friend - don't
filter stuff through your brain and fingers!
Further, the default for FFTW is to install double precision and the
default for GROMACS is to install single precision, so your new FFTW
library is not being used by GROMACS.
Please follow Justin's advice and follow an installation guide precisely.
Mark
I want to know whether the above steps are correct or not.
help me in this regard
thanks in advance
--
Regards
Mahendran. E
--
Regards
Mahendran. E
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