[gmx-users] Minimization is not running
mark.j.abraham at gmail.com
Thu Nov 6 13:26:40 CET 2014
This is because you are using 4.6.5 provided by your OS, and it has been
compiled assuming SSE4.1, but your machine is so old it only runs SSE2.
When you find your 5.0.2 install, it will be probably compiled for SSE2.
On Thu, Nov 6, 2014 at 12:52 PM, <satya at physics.iisc.ernet.in> wrote:
> Dear all,
> I am just new to GROMACS, tried to install v5.0.2, although isntallation
> was successful, while running it is giving problem:
> I am just trying to do the lysozyme tutorial, however first energy
> minimization is not running, mdrun stopped with:
> Reading file em.tpr, VERSION 4.6.5 (single precision)
> Using 1 MPI thread
> Using 2 OpenMP threads
> Compiled acceleration: SSE4.1 (Gromacs could use SSE2 on this machine,
> which is better)
> Back Off! I just backed up em.trr to ./#em.trr.1#
> Back Off! I just backed up em.edr to ./#em.edr.1#
> Illegal instruction (core dumped)
> I have attached log file which shows during installation compiler flag
> SSE4.1 was used instead of SSE2, how to fix this?
> With best regards,
> Satyabrata Das
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