[gmx-users] setting up mpi code

[Joanne Hanna]

Thank you, that was the news I was hoping for!

Jo

Joanne Hanna
Department of Chemistry
University of Warwick
Coventry
CV4 7AL

J.F.Hanna at warwick.ac.uk
>>> lindahl at sbc.su.se 11/09/05 18:06 PM >>>
Hi,

As far as I can tell those aren't errors but warnings - the intel  
compiler warns every time you compare FP numbers, but you can safely  
ignore it.

Cheers,

Erik

On Nov 9, 2005, at 9:17 AM, Joanne Hanna wrote:

> Hi
>
> I have been trying to get gromacs 3.2.1 set up with mpi on our sgi  
> cluster at work. I get a number of errors that i have not received  
> when i have compiled previously on serial intel nodes, e.g:
>
> orires.c(95): warning #1572: floating-point equality and inequality  
> comparisons are unreliable
>     if (ir->orires_tau == 0)
>                        ^
>
> orires.c(104): warning #1572: floating-point equality and  
> inequality comparisons are unreliable
>     if (ir->orires_tau == 0)
>                        ^
>
> orires.c(209): warning #1572: floating-point equality and  
> inequality comparisons are unreliable
>               (eig[j] != 0) ? eig[i]/eig[j] : 0,v[XX][i],v[YY][i],v 
> [ZZ][i]);
>                       ^
>
> orires.c(230): warning #1572: floating-point equality and  
> inequality comparisons are unreliable
>     bTAV = (od->edt != 0);
>                     ^
>
> orires.c(415): warning #1572: floating-point equality and  
> inequality comparisons are unreliable
>     if (od->fc != 0) {
>                ^
>
> orires.c(416): warning #1572: floating-point equality and  
> inequality comparisons are unreliable
>       bTAV = (od->edt != 0);
>                       ^
>
> plus lots lots more along the same lines!
>
> But the code does not fail and seems to compile completely, i.e.  
> luck works!
>
> Should I be concerned about these errors?
>
> I am using icc, ifort and lmpi
>
> Thanks
> Jo
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-----------------------------------------------------------
Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214




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