[gmx-users] Re: gmx-users Re: Error of installing gromacs v4.5.4

Hsin-Lin Chiang jiangsl at phys.sinica.edu.tw
Sat May 28 09:19:21 CEST 2011


Hi,

Thank you.
I use gcc v4.4 and complete the installing.

Sincerely yours,
Hsin-Lin
> Hi, 
> 
> That compiler is ancient (thought it might have SSE2 support) as well 
> as the OS, I guess (RHEL 3?). Still, the CPU does support SSE2 so if 
> you can get a gcc 4.1 or later on it you should still be able compile 
> and run the code without a problem. 
> 
> -- 
> Szil獺rd 
> 
> 2011/5/26 Hsin-Lin Chiang <jiangsl at phys.sinica.edu.tw>: 
> > Hi, 
> > 
> > Thank you for your reply. 
> > I'm not so good in computer. 
> > I think the platform you ask me is "Linux", and kernel is 2.4.21-60.ELsmp 
> > The compiler is gcc v3.2.3 in the machine in my institute. 
> > 
> > Sincerely yours, 
> > Hsin-Lin 
> >> Message: 1 
> >> Date: Thu, 26 May 2011 18:03:09 +0200 
> >> From: Szil?rd P?ll <szilard.pall at cbr.su.se> 
> >> Subject: Re: [gmx-users] Error of installing gromacs v4.5.4 
> >> To: Discussion list for GROMACS users <gmx-users at gromacs.org> 
> >> Message-ID: <BANLkTi=9v3+1Dnbjsmd6hna-ayFdpRbTOA at mail.gmail.com> 
> >> Content-Type: text/plain; charset=ISO-8859-1 
> >> 
> >> Hi Hsin-Lin, 
> >> 
> >> Your problem are caused by a missing header file which is included by 
> >> the nobonded SSE kernels which is indicated by the first error in your 
> >> output: 
> >> 
> >> nb_kernel400_ia32_sse.c:22:23: emmintrin.h: No such file or directory 
> >> 
> >> This header is needed for SSE and SSE2, but for some reason you don't 
> >> have it. What platform are you compiling on/for and what compiler are 
> >> you using? 
> >> 
> >> Alternatively, you can turn off acceleration and you'll be able to 
> >> compile the code, but it will run *much* slower than with the 
> >> accelerated kernels. 
> >> 
> >> -- 
> >> Szil憳削

 
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