[gmx-users] Plz suggest solution

Mark Abraham Mark.Abraham at anu.edu.au
Fri Oct 28 13:01:33 CEST 2005

Dhananjay chandrashekhar joshi wrote:
> I am trying to install gromacs-3.3 on linux cluster havong 16 nodes.
> I was trying to install a parallel verson on single node. The steps 
> which I have taken are as follows.
> 1. lam 3.0.1 installed
> 2. fftw-3.0.1 installed with doubled precision enabled.
>   The command that I typed is  ./configure --enable-threads --enable-sse2
>   The fftw successfully installed.
> 3. Then I have untared the gromacs-3.3 and configured the gromacs.
>   the command that I typed is ./configure --enable-mpi  --disable-float 
> --enable-shared
> 4. After this I typed the command  make

That all seems fine.

> and I got an error as follows
> mpicc: No such file or directory

mpicc is (probably) a wrapper around the C compiler on your system 
(probably gcc) that should have been installed with lam. If so, the 
problem may be that your shell has not yet noticed mpicc in your path. 
If so, then "rehash" on the command line, or logging in with a new shell 
will magically fix the problem by noticing mpicc. If that's not the 
problem, find where mpicc was installed, and put that in your path. If 
mpicc isn't installed, then find the person who installed lam and beat 
them about the head until it is installed. :-)

Mark Abraham

More information about the gromacs.org_gmx-users mailing list