Re: [gmx-users] Installing GMX-GPU 4.5.5 calculating SASA

2012-02-01 Thread lloyd riggs
-Nachricht > Datum: Tue, 31 Jan 2012 21:50:53 +0300 > Von: "Андрей Гончар" > An: Discussion list for GROMACS users > Betreff: Re: [gmx-users] Installing GMX-GPU 4.5.5 > You should try this: > http://verahill.blogspot.com/2012/01/debian-testing-64-wheezy-comp

Re: [gmx-users] Installing GMX-GPU 4.5.5

2012-01-31 Thread Андрей Гончар
fast" affect performance? And why is this flag > unrecognized? > > > > Thanks, Efrat > > > >>Date: Tue, 31 Jan 2012 21:50:53 +0300 >>From: ?? ?? >>Subject: Re: [gmx-users] Installing GMX-GPU 4.5.5 >>To: Discussion list for GROMACS users

[gmx-users] Installing GMX-GPU 4.5.5

2012-01-31 Thread Efrat Exlrod
;Subject: Re: [gmx-users] Installing GMX-GPU 4.5.5 >To: Discussion list for GROMACS users >Message-ID: >Content-Type: text/plain; charset=UTF-8 >You should try this: >http://verahill.blogspot.com/2012/01/debian-testing-64-wheezy-compiling_20.html >2012/1/31 Efrat Exlrod : >

Re: [gmx-users] Installing GMX-GPU 4.5.5

2012-01-31 Thread Андрей Гончар
You should try this: http://verahill.blogspot.com/2012/01/debian-testing-64-wheezy-compiling_20.html 2012/1/31 Efrat Exlrod : > Hi, > > I'm compiling gromacs 4.5.5 with gcc compiler (v 4.5.3), cmake (2.8.7) and > OpenMM 3.1.1 on Linux (Red Hat release 5.7). I have followed the > installation instr

[gmx-users] Installing GMX-GPU 4.5.5

2012-01-31 Thread Efrat Exlrod
Hi, I'm compiling gromacs 4.5.5 with gcc compiler (v 4.5.3), cmake (2.8.7) and OpenMM 3.1.1 on Linux (Red Hat release 5.7). I have followed the installation instructions. The configuration seems to work well. > ~/progs/cmake-2.8.7/bin/cmake -DGMX_OPENMM=ON > -DCUDA_TOOLKIT_ROOT_DIR:PATH=/opt/