On 10/05/2011 1:38 AM, kalav...@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.
Mark
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