[gmx-users] Re:Re: Re:Re: How to complie gromacs on sgi Altix450?

石子枫 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.
 Best wishes.
 Wenping Lv
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