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

Szilárd Páll szilard.pall at cbr.su.se
Fri May 27 04:00:07 CEST 2011


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.


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嫫d
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