[gmx-developers] Re: Re: gmx head in double precision broken

Michael Shirts mrshirts at gmail.com
Wed Sep 9 16:15:46 CEST 2009


Or to avoid code editing, simply disable assembly loops in the
configuration: --disable-ia32-sse /  --disable-x86-64-sse depending on
the build machine.

Best,
Michael

> Date: Tue, 08 Sep 2009 15:34:11 +0200
> From: Berk Hess <hess at cbr.su.se>
> Subject: Re: [gmx-developers] gmx head in double precision broken?
> To: Discussion list for GROMACS development
>        <gmx-developers at gromacs.org>
> Message-ID: <4AA65D53.4010104 at cbr.su.se>
> Content-Type: text/plain; charset=ISO-8859-1
>
> Erik will fix this later this afternoon.
> If you need to compile now, simply comment out these calls.
>
> Berk
>
> Carsten Kutzner wrote:
>> Hi,
>>
>> I noticed that the current gmx head revision does not compile in
>> double precision. I get
>>
>> /home/ckutzne/workspace/git-gromacs-head/src/gmxlib/.libs/libgmx_d.a(nonbonded.o): In function `do_nonbonded':
>> nonbonded.c:(.text+0x110): undefined reference to `nb_kernel_allvsall_sse2_single'
>> nonbonded.c:(.text+0x5f7): undefined reference to `nb_kernel_allvsallgb_sse2_single'
>>
>> Carsten
>>
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