[gmx-users] Re:Re: Re:Re: How to complie gromacs on sgi Altix450?
lv-wenping at live.cn
Wed Sep 16 02:23:48 CEST 2009
Hello , everyone
Thanks for your kind advice.
Of course, I have not ignored those three posts.And I have accepted their suggestions.
And I'm very sorry I bother everybody again.
I think I have compiled both float and double precision for fftw.
And I just choose to compile double precision for gromacs.
Do Mark's means that I must compile gromacs in both float and double precision ?
But I don't think that is essential. Because I have successfully compiled(both parallel version and single thread version) gromacs on another computer(it's a cluster) in this way.
So, I think this is a problem of this computer.
Altix450 have 8 compute nodes ,each node have two Itanium2 64bit Dual Cores CPU.
And it is a machine of shared memery.
Now, I am trying Carsten's advice, I hope it can work normally.
Thanks everyone's good advice again.
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