Re: [gmx-users] Gromacs setup on dual core machine

> > Jens Pohl wrote: > > Hello! > > > > I have a similar problem with installing gromacs on a dual core machine. > > When I go through the procedure described by Matheus Fazian Ige Gondo a bit > > further down installing lam/mpi then fftw and finally gromacs everything > > seems to be working

Re: [gmx-users] Gromacs setup on dual core machine

Jens Pohl wrote: Hello! I have a similar problem with installing gromacs on a dual core machine. When I go through the procedure described by Matheus Fazian Ige Gondo a bit further down installing lam/mpi then fftw and finally gromacs everything seems to be working fine, but lam/mpi doesn't rec

Re: [gmx-users] Gromacs setup on dual core machine

Jens Pohl wrote: Hello! I have a similar problem with installing gromacs on a dual core machine. When I go through the procedure described by Matheus Fazian Ige Gondo a bit further down installing lam/mpi then fftw and finally gromacs everything seems to be working fine, but lam/mpi doesn't rec

Re: [gmx-users] Gromacs setup on dual core machine

Hello! I have a similar problem with installing gromacs on a dual core machine. When I go through the procedure described by Matheus Fazian Ige Gondo a bit further down installing lam/mpi then fftw and finally gromacs everything seems to be working fine, but lam/mpi doesn't recognize the two co

Re: [gmx-users] Gromacs setup on dual core machine

Hello Ricardo Did you install with the sources ? (make install) ? Go to the folder where you ran this command and run "make uninstall" Matheus Fazian Ige Gondo Departamento de Física e Biofísica Instituto de Biociências Unesp - Botucatu - SP [EMAIL PROTECTED] +55 (14) 3811-6254 On Tue, Mar 11, 2

Re: [gmx-users] Gromacs setup on dual core machine

Ricardo, you don't need to uninstall anithing. To run mpi jobs you only need, mdrun_mpi. ./configure (with your options) make mdrun make install-mdrun done. On Tue, Mar 11, 2008 at 1:55 PM, Ricardo Soares <[EMAIL PROTECTED]> wrote: > > Kpiwara De X-nelo wrote: > Hello > You'll need FFTW (fftw

Re: [gmx-users] Gromacs setup on dual core machine

Kpiwara De X-nelo wrote: Hello You'll need FFTW (fftw.org ) LAM/MPI (lam-mpi.org ) and gromacs sources Download the 3 packages start with the Lam/MPI (configure , make , make install) Then fftw (the 2.1.5 version is needed, the 3.2 supports it but is still

Re: [gmx-users] Gromacs setup on dual core machine

Hello You'll need FFTW (fftw.org) LAM/MPI (lam-mpi.org) and gromacs sources Download the 3 packages start with the Lam/MPI (configure , make , make install) Then fftw (the 2.1.5 version is needed, the 3.2 supports it but is still unstable) (configure --enable-mpi, make, make install) Then, finally

Re: [gmx-users] Gromacs setup on dual core machine

Ricardo Soares wrote: Hi everybody, I think this may sound rather trivial for most users, but I intend to install gromacs 3.3.1 on a dual core machine and I want to be sure what to do. Could anyone indicate me some online tutorial to do so (as well some simulation examples)? Is this conside

[gmx-users] Gromacs setup on dual core machine

Hi everybody, I think this may sound rather trivial for most users, but I intend to install gromacs 3.3.1 on a dual core machine and I want to be sure what to do. Could anyone indicate me some online tutorial to do so (as well some simulation examples)? Is this considered parallelization (with