[gmx-users] RHEL OS, g_mdrun

Peter C. Lai pcl at uab.edu
Wed May 18 23:01:15 CEST 2011

On 2011-05-18 03:51:00PM -0500, Szilárd Páll wrote:
> Hi,
> You should really use fftw, it's *much* faster! (Btw: fftpack comes
> with Gromacs.)
> I'm not sure what versions of Gromacs are available through the RHEL
> packages, but as installing from source is not very difficult
> (especially for a sysadmin) you might be better of with getting a
> fresh installation. You can find the instructions here:
> http://www.gromacs.org/Downloads/Installation_Instructions

Also if you're already using an RPM-based system, might as well just
pull the SRPM, edit the SPEC file to add the appropriate configure flags,
rebuild the rpm using rpmbuild and then and rpm -i...
(Your sysadmin should know how to do this...)

Peter C. Lai                 | University of Alabama-Birmingham
Programmer/Analyst           | BEC 257
Genetics, Div. of Research   | 1150 10th Avenue South
pcl at uab.edu                  | Birmingham AL 35294-4461
(205) 690-0808               |

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