[gmx-users] Minimization is not running

satya at physics.iisc.ernet.in satya at physics.iisc.ernet.in
Thu Nov 6 13:22:12 CET 2014

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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