Dear Gromacs user,
my intel compiler issue got solved with a combination off autoconfiger and
cmake. In a first step, I used autoconfigure for FFTW-3.2.2 and solved my
compilation/segfault problems for gromacs-4.5.4 with cmake:
##For FFTW compilation ##
./configure --enable-threads
Hi,
Good that managed to solve the issue!
Even though it might have been caused by a bug in the autoconf
scripts, as these are the final days for the autoconf support in
Gromacs, I see a very slim change that it will get
investigated/fixed.
--
Szilárd
On Tue, May 10, 2011 at 4:19 PM,
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
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
Dear GMX-users,
in a first trial, I successfully managed to compile gromacs 4.5.4 and
fftw 3.2.2 by following the installation instructions on the gromacs
main page. For these compilation, I did not specify the CC CXX or F77
(Compilation was accomplished by GNU compiler 4.5). I was forced to use
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