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

[Kalavera at gmx.net]

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.

Cheers,
M.Kalavera


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