Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-23 Thread Florian Dommert
ready for start. /Flo > > Ali > > > > Date: Fri, 23 Jul 2010 10:04:03 +0200 > From: domm...@icp.uni-stuttgart.de > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard > > On 23.07.10 09:32, KACHMAR Ali wrote: > > H

RE: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-23 Thread KACHMAR Ali
0 10:04:03 +0200 From: domm...@icp.uni-stuttgart.de To: gmx-users@gromacs.org Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard On 23.07.10 09:32, KACHMAR Ali wrote: Hi, I had already installed xcode. I would like to be sure if it is correct my .ba

Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-23 Thread Florian Dommert
On 23.07.10 09:32, KACHMAR Ali wrote: > Hi, > > I had already installed xcode. > > I would like to be sure if it is correct my .bash_profile concerning > the gcc and mpicc > > export PATH=/usr/local/bin:$PATH If you have a broke installation of gcc and/or mpicc in /usr/local/bin then the compila

RE: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-23 Thread KACHMAR Ali
23 Jul 2010 09:13:44 +0200 From: domm...@icp.uni-stuttgart.de To: gmx-users@gromacs.org Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard Hi, no just download the Apple Developer Tools from the Apple Developer page. This will provide the latest version Apple build

Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-23 Thread Florian Dommert
..@icp.uni-stuttgart.de > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard > > Hi, > > I would download the latest developer toolkit, install it and all > should be correct to install an MPI - Version of GROMACS. Everything

RE: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread KACHMAR Ali
Hi Florian, I download cudatoolkit_3.1_macos.pkg. I am confused, what I should change now in my .bash_profile. Ali Date: Thu, 22 Jul 2010 19:28:22 +0200 From: domm...@icp.uni-stuttgart.de To: gmx-users@gromacs.org Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard Hi

RE: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread KACHMAR Ali
Sorry, I have to download from this page: http://developer.nvidia.com/object/cuda_3_1_downloads.html Ali Date: Thu, 22 Jul 2010 19:28:22 +0200 From: domm...@icp.uni-stuttgart.de To: gmx-users@gromacs.org Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard Hi, I

RE: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread KACHMAR Ali
Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard Hi, I would download the latest developer toolkit, install it and all should be correct to install an MPI - Version of GROMACS. Everything works fine and I realize no trouble with compilation. Cheers, Flo On

RE: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread KACHMAR Ali
Date: Thu, 22 Jul 2010 12:51:53 +0200 From: domm...@icp.uni-stuttgart.de To: gmx-users@gromacs.org Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard Hello Ali, starting with OS X 10.5 the Developer tools included also a nicely working distribution of OpenMPI.

Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread Florian Dommert
- > Date: Thu, 22 Jul 2010 12:51:53 +0200 > From: domm...@icp.uni-stuttgart.de > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard > > Hello Ali, > > starting with OS X 10.5 the Deve

RE: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread KACHMAR Ali
gmx-users@gromacs.org Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard Hello Ali, starting with OS X 10.5 the Developer tools included also a nicely working distribution of OpenMPI. So as soon as the Developer Tools have been installed on the Mac following the st

Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread Florian Dommert
ansgar.eszterm...@mpi-bpc.mpg.de > > > > To: gmx-users@gromacs.org > > > > Date: Wed, 21 Jul 2010 12:15:25 +0200 > > > > Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard > > > > > > > > > > > > On Jul 21,

RE: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread KACHMAR Ali
; Date: Thu, 22 Jul 2010 10:38:02 +0200 > Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard > > [This should have gone to the list] > > Dear Ali, > > gcc should be in /usr/bin (or some other bin, if you do not use Apple's > compiler), not in /

Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-22 Thread Esztermann, Ansgar
hon 2.6 > # The orginal version is saved in .bash_profile.pysave > PATH="/Library/Frameworks/Python.framework/Versions/2.6/bin:${PATH}" > export PATH > > export PATH=$PATH:/usr/local/lib > export PATH=$PATH: /usr/bin/mpicc > export PATH=$PATH:/usr/local/lam/bin/ >

Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-21 Thread Esztermann, Ansgar
On Jul 21, 2010, at 11:07 , KACHMAR Ali wrote: > checking whether the MPI cc command works... configure: error: Cannot compile > and link MPI code with mpicc This is the immediate problem: something goes wrong when compiling a test program with mpicc. If you look into the configure log, you s

[gmx-users] installation: gromacs on Mac.10.5.8 leopard

2010-07-21 Thread KACHMAR Ali
Dear all, I am trying to install gromacs on my Mac leopard by following the installation instructions on this page: http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions/Quick_and_Dirty_Installation setenv SOFT $HOME/software setenv CPPFLAGS "-I$SOFT/include