[gmx-users] Re: Error of installing gromacs v4.5.4
Justin A. Lemkul
jalemkul at vt.edu
Thu May 26 19:15:40 CEST 2011
Hsin-Lin Chiang wrote:
> 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.
The hardware specs are more significant here. "cat /proc/cpuinfo" should
provide the necessary information. The exact configuration command you used
would also be useful.
Note that gcc 3.2.3 is extremely old, and often times new code will not compile
properly with old compilers. You should upgrade gcc to something more modern.
Surely your system has a package manager that can upgrade such components.
> Sincerely yours,
> > 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
Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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