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

Kalavera at gmx.net Kalavera at gmx.net
Mon May 9 17:38:53 CEST 2011


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.


NEU: FreePhone - kostenlos mobil telefonieren und surfen!			
Jetzt informieren: http://www.gmx.net/de/go/freephone

More information about the gromacs.org_gmx-users mailing list