[gmx-users] Installation Error on an Athlon64 with Intel Compiler

Jones de Andrade johannesrs at gmail.com
Sat Apr 22 23:20:34 CEST 2006

Hi again!

Well, still having problems:

> /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -c
> > -o mknb_interactions.o mknb_interactions.c
> > /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -o
> > mknb mknb.o mknb_metacode.o mknb_common.o mknb_declarations.o
> > mknb_outerloop.o mknb_innerloop.o mknb_interactions.o
> > rm -f kernel-stamp
> > ./mknb   -software_invsqrt
> Would like to go to
> /home/johannes/src/gromacs/gromacs-3.3/src/gmxlib/nonbonded/nb_kernel
> and run this command.
> ./mknb -software_invsqrt

Here we go. Following the instructions, we get:

johannes at linux:~/src/gromacs/gromacs-3.3/src/gmxlib/nonbonded/nb_kernel> su
# export LD_LIBRARY_PATH=/usr/local/intel/lib/
# ./mknb -software_invsqrt
>>> Gromacs nonbonded kernel generator (-h for help)
>>> Generating single precision functions in C.
>>> Using Gromacs software version of 1/sqrt(x).
Falha de segmentação

So, back to the beggining. Still getting an segmentation fault at this
point. I really don't think it's due to a 32/64bits issue, cause everything
in here, specially compilers and libraries, is being installed only the 64
bits version. Anyway, how could I verify this possibility again, and find
out if it's this the problem or not?

Any other idea of what could be causing this error in here (yes, I hate the
segmentation faults too)?

Thanks a lot for everything to all.

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