[gmx-users] Running mpi gromacs on solaris 9

[Anton Feenstra]

itai bloch wrote:

> Hi all,
> 
> I have tried to install gromacs on solaris 9.
> I am not an expert in this so I will try to describe my problem the best...
> 
> I have managed to install the double precision version.
> BUT, when I installed mpi gromacs on the same machine, I had two problems:
> 
> 1. Using grompp (on 4 nodes) has given an extra error (that didn't
> occur on other mechine we used for the same system) - that the system
> is not neutral (although I added counter ions). Its a minor charge
> ("System has non-zero total charge: 2.290308e-05") but I have never
> had such thing before and also when I use dp gromcs it doesn't
> happened.

Roundoff error.

By the way, there is no such thing is grompp on 4 nodes...

-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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