[gmx-users] Fwd: Compiling issue : Compiling gromacs 4.5.4 with intel compiler suite 12.0

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 10 00:09:33 CEST 2011

On 10/05/2011 1:38 AM, Kalavera at gmx.net wrote:
> Hi,
> I recompiled gromacs 4.5.4 and fftw3.2.2 with the newest version off the
> intel compiler suit 12.0.2, still leading to segmentation faults. As
> suggested, I tried lots of combinations of different forcefields, water
> types and *.pdb's. Non of them was successful, so my segmentation fault
> is reproducible. Even the delivered tutorial/test cases stopped with a
> segmentation fault.
> As a last step, I will try to compile gromacs with CMake. If there are
> any alternatives you would suggest me to conduct, don't hesitated to let
> me know.

I would --disable-shared everything and see how things went.


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