[gmx-users] Gromacs on Pathscale/Infiniband?

[Susan Chacko]

Hi all,

We have a bunch of Opterons connected with Infiniband. I'm trying to  
get Gromacs compiled for these nodes. I successfully built FFTW  
3.1.2, but my Gromacs 3.3.1 config goes about halfway and then fails  
with

checking size of int... configure: error: cannot compute sizeof  
(int), 77

These are the flags I'm using:
./configure --with-fft=fftw3 --enable-float --prefix=/usr/local/src/ 
gromacs/gromacs-ib --enable-mpi

Any suggestions? Has anyone else successfully built/run Gromacs with  
Pathscale/IB?

All help much appreciated,
Susan.

------------------------------------------------------------------------ 
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Susan Chacko
Computational Biologist, Helix Systems
Center for Information Technology
12B/2N207                                               Ph: 301-435-2982
National Institutes of Health                           Fax:  
301-402-2190
Bethesda, MD 20814                                      Email:  
susanc at nih.gov