Re: [gmx-users] Build on OSX with 4.6beta1

2012-12-03 Thread Szilárd Páll
Hi, Preferably we should avoid starting an OS flame-war here. However, before this thread turns into an ode to Apple, I have to say: Mac OS X is/can be a pain both for development and computational use. As long as you use it to code for iPhone or write some Mac app in Xcode, it's probably excellen

Re: [gmx-users] Build on OSX with 4.6beta1

2012-12-03 Thread Justin Lemkul
On 12/3/12 10:48 AM, Albert wrote: On 12/03/2012 04:40 PM, Justin Lemkul wrote: I think every OS has something to complain about, though Linux seems to be the most friendly. Yes, Mac has its quirks and annoyances (as does Windows, which is becoming more and more common in the scientific realm

Re: [gmx-users] Build on OSX with 4.6beta1

2012-12-03 Thread Albert
On 12/03/2012 04:40 PM, Justin Lemkul wrote: I think every OS has something to complain about, though Linux seems to be the most friendly. Yes, Mac has its quirks and annoyances (as does Windows, which is becoming more and more common in the scientific realm), but I would disagree that it's a

Re: [gmx-users] Build on OSX with 4.6beta1

2012-12-03 Thread Justin Lemkul
On 12/3/12 10:24 AM, Albert wrote: the most efficient way is just give up a macOS and switch to a more reasonable OS like Linux. macOS is definitely a pain in the neck , and it is completely nightmare to use it for computational work. I think every OS has something to complain about, thoug

Re: [gmx-users] Build on OSX with 4.6beta1

2012-12-03 Thread Albert
the most efficient way is just give up a macOS and switch to a more reasonable OS like Linux. macOS is definitely a pain in the neck , and it is completely nightmare to use it for computational work. On 12/03/2012 04:10 PM, Szilárd Páll wrote: On Fri, Nov 30, 2012 at 11:01 AM, Carlo Camillo

Re: [gmx-users] Build on OSX with 4.6beta1

2012-12-03 Thread Szilárd Páll
Hi, I think this happens either because you have cmake 2.8.10 and the host-compiler gets double-set or because something gets messed up when you use clang/clang++ with gcc as the CUDA host-compiler. Could you provide the exact error output you are getting as well as cmake invocation? As I don't ha

Re: [gmx-users] Build on OSX with 4.6beta1

2012-11-30 Thread Roland Schulz
Hi, On Fri, Nov 30, 2012 at 5:01 AM, Carlo Camilloni wrote: > > > 1. the compilation was easy but not straightforward: > cmake ../ -DGMX_GPU=ON > -DCMAKE_INSTALL_PREFIX=/Users/carlo/Codes/gromacs-4.6/build-gpu > -DCMAKE_CXX_COMPILER=/usr/bin/clang++ -DCMAKE_C_COMPILER=/usr/bin/clang > -DCUDA_NVCC_

Re: [gmx-users] Build on OSX with 4.6beta1

2012-11-30 Thread Roland Schulz
On Fri, Nov 30, 2012 at 5:01 AM, Carlo Camilloni wrote: > Dear All, > > I have successfully compiled the beta1 of gromacs 4.6 on my macbook pro > with mountain lion. > I used the latest cuda and the clang/clang++ compilers in order to have > access to the AVX instructions. > mdrun works with great

[gmx-users] Build on OSX with 4.6beta1

2012-11-30 Thread Carlo Camilloni
Dear All, I have successfully compiled the beta1 of gromacs 4.6 on my macbook pro with mountain lion. I used the latest cuda and the clang/clang++ compilers in order to have access to the AVX instructions. mdrun works with great performances!! great job! two things: 1. the compilation was easy