[gmx-users] Gromacs on the DEC in parallel giving Floating Exceptions

[Shawn T. Brown]

Hello group,

I am trying to install the new version GROMACS-3.3.1 on a Tru64 DEC, and I
am experience the following error in the speptide example:

.
   Tolerance (Fmax)   =  2.00000e+03
   Number of steps    =          100
MPI process 55185 died from signal 8 (Floating point exception)
---------------------------------------------------------------------------

It runs to completion over 1 processor, but when I go to more than one, I
get the above message.

I am compiling with:

Tru64 OSF v 5.1
cc Compaq C V6.5-303
fftw-2.1.5 double or single

Thanks for any assistance that can be provided. 

Shawn


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Pittsburgh Supercomputing Center
Senior Scientific Support Specialist
stbrown at psc.edu
Carnegie Mellon University
Pittsburgh Supercomputing Center
Rm #369
Pittsburgh, PA 15213
tel: 412-268-4635
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